default.db

# ====================================================================
#         D2Dplot compound database [2015-09-07 at 16:21]
# ====================================================================

#COMP: Silicon
#FORMULA: Si
#CELL_PARAMETERS: 5.4307 5.4307 5.4307 90.000 90.000 90.000
#SPACE_GROUP: F d -3 m
#REF: Wyckoff R W G, Crystal Structures 1 (1963) 7-83
#LIST: H  K  L  dsp  Int
  1   1   1   3.13540  100.00
  2   2   0   1.92000   64.31
  3   1   1   1.63740   37.32
  4   0   0   1.35770    9.58
  3   3   1   1.24590   14.14
  4   2   2   1.10850   19.38

#COMP: Lanthanum hexaboride
#FORMULA: La B6
#CELL_PARAMETERS: 4.1569 4.1569 4.1569 90.000 90.000 90.000
#SPACE_GROUP: P m -3 m
#REF: National Institute of Standards and Technology
#LIST: H  K  L  dsp  Int
  1   0   0   4.15760   13.60
  1   1   0   2.93990   21.83
  1   1   1   2.40040   42.36
  2   0   0   2.07880   56.99
  2   1   0   1.85930   11.83
  2   1   1   1.69730    5.82
  2   2   0   1.46990    0.24
  2   2   1   1.38590  100.00
  3   0   0   1.38590   54.08
  3   1   0   1.31470   67.94
  3   1   1   1.25360    4.49
  2   2   2   1.20020   36.18
  3   2   0   1.15310    0.40
  3   2   1   1.11120    2.43

#COMP: Diamond
#FORMULA: C
#CELL_PARAMETERS: 3.5668 3.5668 3.5668 90.000 90.000 90.000
#SPACE_GROUP: F d -3 m
#REF: Wyckoff R W G, Crystal Structures 1 (1963) 7-83
#LIST: H  K  L  dsp  Int
  1   1   1   2.05930  100.00
  2   2   0   1.26110   36.52

#COMP: Graphite
#FORMULA: C
#CELL_PARAMETERS: 2.4560 2.4560 6.6960 90.000 90.000 120.000
#SPACE_GROUP: P 63 m c
#REF: Wyckoff R W G, Crystal Structures 1 (1963) 7-83
#LIST: H  K  L  dsp  Int
  0   0   2   3.34800  100.00
  1   0   0   2.12700    3.45
  1   0   1   2.02710   16.94
  1   0   2   1.79530    3.34
  0   0   4   1.67400    6.55
  1   0   3   1.53980    5.09
  1   1   0   1.22800    1.77
  1   1   2   1.15290    2.86
  1   0   5   1.13330    1.53
  0   0   6   1.11600    1.30

#COMP: Nickel
#FORMULA: Ni
#CELL_PARAMETERS: 3.5620 3.5620 3.5620 90.000 90.000 90.000
#SPACE_GROUP: F m -3 m
#REF: Angel, R. J.; Bismayer, U.; Marshall, W. G. (2004) Acta Cryst. B60, 1-9
#LIST: H  K  L  dsp  Int
  1   1   1   2.05650  100.00
  2   0   0   1.78100   92.52
  2   2   0   1.25940   67.78
  3   1   1   1.07400   53.67

#COMP: Nickel oxide
#FORMULA: Ni O
#CELL_PARAMETERS: 4.1684 4.1684 4.1684 90.000 90.000 90.000
#SPACE_GROUP: F m -3 m
#REF: Cairns, R W; Ott, E (1933) JACS, 55, 527-533
#LIST: H  K  L  dsp  Int
  1   1   1   2.40660    7.80
  2   0   0   2.08420  100.00
  2   2   0   1.47380  100.00
  3   1   1   1.25680    7.80
  2   2   2   1.20330  100.00
  4   0   0   1.04210  100.00

#COMP: Tungsten
#FORMULA: W
#CELL_PARAMETERS: 3.1648 3.1648 3.1648 90.000 90.000 90.000
#SPACE_GROUP: I m -3 m
#REF: Dubrovinsky, L. S.; Saxena, S. K. (1997) Phys. Chem. Miner. 24, 547-550
#LIST: H  K  L  dsp  Int
  1   1   0   2.23790  100.00
  2   0   0   1.58240  100.00
  2   1   1   1.29200  100.00
  2   2   0   1.11890  100.00

#COMP: Sodium chloride
#NAMEALT: Halite
#FORMULA: Na Cl
#CELL_PARAMETERS: 5.6200 5.6200 5.6200 90.000 90.000 90.000
#SPACE_GROUP: F m -3 m
#REF: Abrahams, S C; Bernstein, J L (1965) Acta Cryst. 18, 926-932
#LIST: H  K  L  dsp  Int
  1   1   1   3.24470   20.28
  2   0   0   2.81000  100.00
  2   2   0   1.98700  100.00
  3   1   1   1.69450   20.28
  2   2   2   1.62240  100.00
  4   0   0   1.40500  100.00
  3   3   1   1.28930   20.28
  4   2   0   1.25670  100.00
  4   2   2   1.14720  100.00

#COMP: Cadmium chloride
#FORMULA: Cd Cl2
#CELL_PARAMETERS: 6.2300 6.2300 6.2300 36.030 36.030 36.030
#SPACE_GROUP: R -3 m
#REF: Pauling, L; Hoard, J L (1930) Z. Kristallogr. 74, 546-551
#LIST: H  K  L  dsp  Int
  1   0   1   3.11710    1.27
  1   1   0   3.11710   59.97
  2   1   1   2.65100    1.27
  1   2   2   2.41250  100.00
  2   3   2   1.99770  100.00
  2   2   3   1.99770    1.27
  3   3   3   1.93970    1.27
  0   1   2   1.82910   59.97
  0   2   1   1.82910    1.27
  3   2   1   1.60640    1.27
  3   1   2   1.60640   59.97
  2   2   0   1.55860   59.97
  2   0   2   1.55860  100.00
  1   1   3   1.50550    1.27
  1   3   1   1.50550    1.27
  4   4   3   1.43320    1.27
  4   3   4   1.43320  100.00
  3   4   2   1.36700   59.97
  3   2   4   1.36700   59.97
  4   2   2   1.32550  100.00
  5   4   4   1.24580  100.00
  2   4   4   1.20620   59.97
  4   5   5   1.16810    1.27
  3   5   4   1.16100  100.00
  3   4   5   1.16100    1.27
  2   1   4   1.12560   59.97

#COMP: Aluminium oxide
#NAMEALT: Corundum
#FORMULA: Al2 O3
#CELL_PARAMETERS: 4.7606 4.7606 12.9940 90.000 90.000 120.000
#SPACE_GROUP: R -3 c
#REF: Tsirelson, V G; Antipin, M Y; Gerr, R G; Ozerov, R P; Struchkov, Y T (1985) Phys Status Solidi A. 87, 425-433
#LIST: H  K  L  dsp  Int
  0   1   2   3.48110    2.67
  1   0   4   2.55160    3.09
  1   1   0   2.38030    0.45
  0   0   6   2.16570   28.44
  1   1   3   2.08600   41.21
  2   0   2   1.96490    0.22
  0   2   4   1.74050   14.87
  1   1   6   1.60190   35.79
  2   1   1   1.54720    3.87
  1   2   2   1.51530    0.07
  0   1   8   1.51120    4.08
  2   1   4   1.40500    9.79
  3   0   0   1.37430  100.00
  1   2   5   1.33640    3.87
  2   0   8   1.27580    0.01
  1   0  10   1.23930   14.22
  1   1   9   1.23440   41.21
  2   1   7   1.19350    3.87
  2   2   0   1.19010    0.20
  3   0   6   1.16040   21.99
  0   3   6   1.16040   21.99
  2   2   3   1.14760   33.83

#COMP: Aluminium oxide (kappa)
#FORMULA: Al2 O3
#CELL_PARAMETERS: 4.8437 8.3300 8.9547 90.000 90.000 90.000
#SPACE_GROUP: P n a 21
#REF: Ollivier, B; Retoux, R; Lacorre, P; Massiot, D; Ferey, G (1997) J. Mat. Chem. 7, 1049-1056
#LIST: H  K  L  dsp  Int
  0   1   1   6.09910    0.22
  0   0   2   4.47730    0.36
  1   1   0   4.18730    0.04
  0   2   0   4.16500    0.07
  1   1   1   3.79310    0.07
  1   2   0   3.15800    0.26
  1   1   2   3.05830    0.43
  0   2   2   3.04950    1.38
  1   2   1   2.97820    0.27
  0   1   3   2.80990    4.06
  0   3   1   2.65210    0.17
  1   2   2   2.58070    2.74
  1   1   3   2.43060    0.28
  2   0   0   2.42180    0.05
  1   3   0   2.40890    0.23
  2   0   1   2.33790    6.85
  1   3   1   2.32620    4.64
  2   1   0   2.32560    0.30
  2   1   1   2.25090    0.13
  0   0   4   2.23870   28.49
  1   2   3   2.16930    0.75
  2   0   2   2.13020   26.16
  1   3   2   2.12140   34.21
  2   2   0   2.09360    0.00
  0   4   0   2.08250    0.79
  2   1   2   2.06380    0.98
  2   2   1   2.03870    0.52
  0   3   3   2.03300    0.01
  1   1   4   1.97420    0.17
  0   2   4   1.97190    0.62
  1   4   0   1.91320    0.67
  2   2   2   1.89650    0.37
  0   4   2   1.88820    1.93
  2   0   3   1.88070   13.80
  1   3   3   1.87460   11.51
  1   4   1   1.87090    0.34
  2   1   3   1.83450    1.39
  1   2   4   1.82630    0.56
  2   3   0   1.82510    0.46
  2   3   1   1.78840    0.07
  1   4   2   1.75930    0.25
  0   1   5   1.75090    3.20
  2   2   3   1.71400    0.73
  2   3   2   1.69010    0.02
  1   1   5   1.64660    0.32
  2   0   4   1.64390   13.11
  1   3   4   1.63990    7.43
  0   5   1   1.63790    0.82
  2   1   4   1.61280    0.71
  1   4   3   1.61070    0.98
  3   1   0   1.58510    0.12
  2   4   0   1.57900    0.56
  1   5   0   1.57540    0.01
  3   1   1   1.56080    1.48
  1   2   5   1.55790    0.74
  2   3   3   1.55710    0.01
  2   4   1   1.55500    1.04
  1   5   1   1.55160    0.24
  2   2   4   1.52910    0.06
  0   4   4   1.52480    0.44
  3   2   0   1.50540    1.48
  0   3   5   1.50500    0.43
  3   1   2   1.49420    1.87
  0   0   6   1.49240    1.44
  2   4   2   1.48910    0.71
  1   5   2   1.48610    0.30
  3   2   1   1.48460    0.74
  0   5   3   1.45470   12.71
  1   4   4   1.45440    0.49
  2   0   5   1.44000   28.79
  1   3   5   1.43730   29.94
  3   2   2   1.42690    0.67
  2   1   5   1.41890    0.22
  2   3   4   1.41460    0.06
  1   1   6   1.40580    0.11
  0   2   6   1.40500    0.36
  3   1   3   1.39990    1.84
  3   3   0   1.39580   99.08
  2   4   3   1.39580    0.94
  1   5   3   1.39330    0.23
  0   6   0   1.38830  100.00
  3   3   1   1.37910    1.03
  2   5   0   1.37260    0.00
  2   2   5   1.36090    2.46
  2   5   1   1.35670    1.20
  1   2   6   1.34940    2.93
  3   2   3   1.34410    6.52
  1   6   0   1.33460    0.97
  3   3   2   1.33250    0.36
  0   6   2   1.32600    0.07
  1   6   1   1.32000    0.13
  2   5   2   1.31230    3.27
  1   4   5   1.30750    0.23
  3   1   4   1.29360    0.28
  2   4   4   1.29030    0.15
  1   5   4   1.28840    0.18
  1   6   2   1.27900    0.05
  2   3   5   1.27830    0.16
  3   4   0   1.27600    1.62
  2   0   6   1.27060   21.82
  1   3   6   1.26870   27.69
  0   1   7   1.26440    0.24
  3   3   3   1.26440    1.15
  3   4   1   1.26320    0.37
  2   1   6   1.25600    1.32
  3   2   4   1.24920    0.62
  2   5   3   1.24710    1.02
  3   4   2   1.22710    0.41
  1   1   7   1.22340    4.93
  0   5   5   1.21980    0.80
  1   6   3   1.21840    0.00
  2   2   6   1.21530    0.03
  0   4   6   1.21310    1.31
  4   0   0   1.21090    0.05
  2   6   0   1.20450    0.28
  4   0   1   1.20000    1.98
  4   1   0   1.19830    1.05
  2   6   1   1.19370    7.48
  4   1   1   1.18770    0.50
  3   1   5   1.18700    0.54
  1   2   7   1.18570    1.18
  3   3   4   1.18440   24.80
  2   4   5   1.18440    1.86
  1   5   5   1.18290    0.17
  0   6   4   1.17990   32.67
  0   7   1   1.17960    0.78
  1   4   6   1.17670    1.00
  3   4   3   1.17330    0.75
  2   5   4   1.17020    1.04
  4   0   2   1.16890   32.79
  2   6   2   1.16310   25.45
  4   2   0   1.16280    0.03
  0   3   7   1.16190    0.06
  3   5   0   1.15940    0.03
  4   1   2   1.15760    2.07
  1   7   0   1.15560    0.53
  2   3   6   1.15540    0.16
  4   2   1   1.15310    2.22
  3   2   5   1.15240    1.71
  3   5   1   1.14980    1.15

#COMP: Aluminium oxide (gamma)
#FORMULA: Al2.666 O3.999
#CELL_PARAMETERS: 3.9500 3.9500 3.9500 90.000 90.000 90.000
#SPACE_GROUP: F m -3 m
#REF: Verwey, E J W (1935) Z. Kristallogr. 91, 317-320
#LIST: H  K  L  dsp  Int
  1   1   1   2.28050   26.80
  2   0   0   1.97500   68.87
  2   2   0   1.39650  100.00
  3   1   1   1.19100   26.80
  2   2   2   1.14030   68.87

#COMP: Andradite
#NAMEALT: Garnet
#FORMULA: Ca3 Fe2 O12 Si3
#CELL_PARAMETERS: 12.0643 12.0643 12.0643 90.000 90.000 90.000
#SPACE_GROUP: I a -3 d
#REF: Pilati, T.; Demartin, F.; Gramaccioli, C. M. (1996) Acta Cryst. B52, 239-250
#LIST: H  K  L  dsp  Int
  2   1   1   4.92520    0.97
  2   2   0   4.26540   10.41
  3   2   1   3.22430    0.60
  4   0   0   3.01610   71.41
  4   2   0   2.69770   17.26
  3   3   2   2.57210   26.87
  4   2   2   2.46260    5.97
  4   3   1   2.36600   18.93
  5   2   1   2.20260   12.47
  4   4   0   2.13270    0.02
  5   3   2   1.95710   18.05
  6   1   1   1.95710   43.36
  6   2   0   1.90750   51.65
  5   4   1   1.86160    0.57
  6   3   1   1.77880    2.15
  4   4   4   1.74130   20.82
  5   4   3   1.70610    3.05
  6   4   0   1.67300   43.87
  6   3   3   1.64170    3.25
  5   5   2   1.64170    2.56
  7   2   1   1.64170    0.11
  6   4   2   1.61220  100.00
  6   5   1   1.53220    0.18
  7   3   2   1.53220    2.79
  8   0   0   1.50800   27.11
  7   4   1   1.48500   16.01
  8   2   0   1.46300    2.33
  6   5   3   1.44200   17.82
  8   2   2   1.42180   26.84
  6   6   0   1.42180    2.48
  7   4   3   1.40240    3.12
  8   3   1   1.40240    0.61
  7   5   2   1.36600    8.91
  8   4   0   1.34880   70.55
  8   4   2   1.31630   18.02
  6   5   5   1.30090    2.81
  9   2   1   1.30090    0.28
  7   6   1   1.30090   24.03
  6   6   4   1.28610   47.20
  8   5   1   1.27170   20.22
  7   5   4   1.27170   20.34
  9   3   2   1.24430    3.76
  7   6   3   1.24430    0.00
  8   4   4   1.23130   27.28
  9   4   1   1.21870   42.24
  8   5   3   1.21870   40.68
  8   6   0   1.20640    0.23
 10   1   1   1.19450   12.71
  7   7   2   1.19450    9.46
 10   2   0   1.18300   24.34
  8   6   2   1.18300    0.04
  9   4   3   1.17180   14.69
 10   3   1   1.15030    0.08
  9   5   2   1.15030    2.25
  7   6   5   1.15030    9.41
  8   7   1   1.12990    0.51

#COMP: Tricalcium dialuminium silicate
#NAMEALT: Grossular (Garnet)
#FORMULA: Al2 Ca3 O12 Si3
#CELL_PARAMETERS: 11.8200 11.8200 11.8200 90.000 90.000 90.000
#SPACE_GROUP: I a -3 d
#REF: Menzer, G. (1926) Z. Kristallogr. 63, 157-158
#LIST: H  K  L  dsp  Int
  2   1   1   4.82550    0.23
  2   2   0   4.17900    0.45
  3   2   1   3.15900    0.43
  4   0   0   2.95500   24.01
  4   2   0   2.64300   17.13
  3   3   2   2.52000   42.87
  4   2   2   2.41270    0.40
  4   3   1   2.31810   22.45
  5   2   1   2.15800   18.88
  4   4   0   2.08950   19.89
  5   3   2   1.91750   16.60
  6   1   1   1.91750   56.79
  6   2   0   1.86890   12.83
  5   4   1   1.82390    1.64
  6   3   1   1.74280    5.58
  4   4   4   1.70610   64.33
  5   4   3   1.67160    4.10
  6   4   0   1.63910  100.00
  5   5   2   1.60850    7.33
  7   2   1   1.60850    0.06
  6   3   3   1.60850    0.02
  6   4   2   1.57950   58.62
  7   3   2   1.50110    6.84
  6   5   1   1.50110    0.21
  8   0   0   1.47750   19.94
  7   4   1   1.45490   10.61
  8   2   0   1.43340   11.67
  6   5   3   1.41280   10.37
  6   6   0   1.39300    7.67
  8   2   2   1.39300    9.47
  8   3   1   1.37400    1.17
  7   4   3   1.37400   10.43
  7   5   2   1.33840   14.76
  8   4   0   1.32150   44.38
  8   4   2   1.28970   13.32
  6   5   5   1.27460    9.59
  9   2   1   1.27460    1.07
  7   6   1   1.27460   29.08
  6   6   4   1.26000   15.88
  8   5   1   1.24590   23.64
  7   5   4   1.24590   30.61
  9   3   2   1.21910    2.16
  7   6   3   1.21910    0.18
  8   4   4   1.20640   10.58
  8   5   3   1.19400   48.50
  9   4   1   1.19400   47.97
  8   6   0   1.18200    0.04
 10   1   1   1.17040   15.20
  7   7   2   1.17040   13.02
  8   6   2   1.15900   12.39
 10   2   0   1.15900   89.54
  9   4   3   1.14810   21.64

#COMP: Aluminum
#FORMULA: Al
#CELL_PARAMETERS: 4.0339 4.0339 4.0339 90.000 90.000 90.000
#SPACE_GROUP: F m -3 m
#REF: Mulder, F.M.; Assfour, B.; Huot, J.; Dingemans, T.J.; Wagemaker, M.; Ramirez-Cuesta, A.J. (2010) J. Phys. Chem. C, 114, 10648
#LIST: H  K  L  dsp  Int
  1   1   1   2.32900  100.00
  2   0   0   2.01690   99.76
  2   2   0   1.42620   98.79
  3   1   1   1.21630   98.08
  2   2   2   1.16450   97.84
  4   0   0   1.00850   96.89

#COMP: Magnesium dialuminium oxide
#NAMEALT: Spinel
#FORMULA: Al2 Mg O4
#CELL_PARAMETERS: 8.2065 8.2065 8.2065 90.000 90.000 90.000
#SPACE_GROUP: F d -3 m
#REF: Yamanaka, T (1983) J. Miner. Soc. Jpn. 16, 221-231
#LIST: H  K  L  dsp  Int
  1   1   1   4.73800   13.93
  2   2   0   2.90140   53.71
  3   1   1   2.47440   44.20
  2   2   2   2.36900    9.09
  4   0   0   2.05160   17.78
  3   3   1   1.88270   12.86
  4   2   2   1.67510   50.53
  5   1   1   1.57930   42.28
  3   3   3   1.57930   41.78
  4   4   0   1.45070  100.00
  5   3   1   1.38720   11.57
  4   4   2   1.36770    0.00
  6   2   0   1.29760   47.44
  5   3   3   1.25150   41.01
  6   2   2   1.23720    8.74
  4   4   4   1.18450   14.37
  7   1   1   1.14910   10.59

#COMP: Aluminium hydroxide
#NAMEALT: Bayerite (gibbsite) (bauxite)
#FORMULA: Al H3 O3
#CELL_PARAMETERS: 5.0620 8.6710 4.7130 90.000 90.270 90.000
#SPACE_GROUP: P 21/a
#REF: Rothbauer, R; Zigan, F; O'Daniel, H. (1967) Z. Kristallogr. 125, 317-331
#LIST: H  K  L  dsp  Int
  0   0   1   4.71290   11.84
  1   1   0   4.37160    3.46
  0   2   0   4.33550    4.65
  0   1   1   4.14080    0.11
  1   2   0   3.29280    0.45
 -1   1   1   3.21160    0.35
  1   1   1   3.19860    0.89
  0   2   1   3.19080    2.22
 -1   2   1   2.70320    0.27
  1   2   1   2.69540    0.60
  2   0   0   2.53100    1.67
  1   3   0   2.51000    3.66
  0   3   1   2.46390    0.02
  2   1   0   2.42960    0.91
  0   0   2   2.35650    5.57
  0   1   2   2.27400    0.40
 -2   0   1   2.23420   39.20
  2   0   1   2.22540   39.39
 -1   3   1   2.21750    9.19
  1   3   1   2.21320    6.50
  2   2   0   2.18580    1.94
  0   4   0   2.16780    0.78
 -2   1   1   2.16350    1.37
  2   1   1   2.15560    0.03
 -1   1   2   2.07780    0.30
  1   1   2   2.07080    1.10
  0   2   2   2.07040    4.40
  1   4   0   1.99270    9.52
 -2   2   1   1.98600    2.08
  2   2   1   1.97980    3.08
  0   4   1   1.96940    0.22
 -1   2   2   1.91910    0.28
  1   2   2   1.91350    4.30
  2   3   0   1.90410    0.86
 -1   4   1   1.83660    1.97
  1   4   1   1.83420    0.30
  0   3   2   1.82640    1.82
 -2   3   1   1.76770    1.80
  2   3   1   1.76330    0.30
 -2   0   2   1.72870    0.99
  2   0   2   1.72060   25.75
 -1   3   2   1.72000   55.44
  1   3   2   1.71600    4.71
 -2   1   2   1.69540    2.00
  2   1   2   1.68770    0.26
  3   1   0   1.65620    0.62
  2   4   0   1.64640    0.34
  1   5   0   1.64060    3.06
  0   5   1   1.62750    0.05
 -2   2   2   1.60580    8.64
  2   2   2   1.59930   12.79
  0   4   2   1.59540    4.26
  3   2   0   1.57240    1.67
  0   0   3   1.57100    6.89
 -3   1   1   1.56480    0.37
  3   1   1   1.56030    2.62
 -2   4   1   1.55580    6.82
  2   4   1   1.55280    3.32
 -1   5   1   1.55010   12.64
  1   5   1   1.54870    8.90
  0   1   3   1.54580    4.34
 -1   4   2   1.52300    6.71
  1   4   2   1.52020    1.19
 -3   2   1   1.49360    5.22
  3   2   1   1.48960    0.70
 -2   3   2   1.48360    4.64
 -1   1   3   1.48030    0.78
  2   3   2   1.47850    0.42
  0   2   3   1.47700    0.02
  1   1   3   1.47650    0.27
  3   3   0   1.45720   44.12
  0   6   0   1.44520   32.63
  2   5   0   1.43060    0.82
 -1   2   3   1.41960    0.07
  1   2   3   1.41620    0.16
  0   5   2   1.39670    0.14
 -3   3   1   1.39380   15.99
  3   3   1   1.39060    4.44
  1   6   0   1.38960    0.25
  0   6   1   1.38170    6.81
  0   3   3   1.38030    0.49
 -2   5   1   1.36990    0.15
  2   5   1   1.36790    0.34
 -3   1   2   1.35800    0.00
  3   1   2   1.35210    5.43
 -2   4   2   1.35160    3.02
  2   4   2   1.34770    0.46
 -1   5   2   1.34740    2.68
  1   5   2   1.34550    1.21
 -2   0   3   1.33760  100.00
 -1   6   1   1.33340    3.97
 -1   3   3   1.33310    0.77
  1   6   1   1.33240    0.11
  2   0   3   1.33200   15.21
  3   4   0   1.33150    9.39
  1   3   3   1.33030   52.22
 -2   1   3   1.32200    0.75
  2   1   3   1.31650    1.98
 -3   2   2   1.31060    0.62
  3   2   2   1.30530    1.00
 -3   4   1   1.28260    0.02
  3   4   1   1.28010    0.53
 -2   2   3   1.27810    2.08
  2   2   3   1.27320    3.52
  0   4   3   1.27210    0.72
  4   0   0   1.26550    3.87
  2   6   0   1.25500    0.95
  4   1   0   1.25220    2.15
 -3   3   2   1.24160   33.39
  3   3   2   1.23710   27.38
 -1   4   3   1.23480    0.77
  1   4   3   1.23260    0.99
  0   6   2   1.23190   15.10
 -2   5   2   1.22430    0.21
 -4   0   1   1.22360   34.94
  2   5   2   1.22140    0.01
  4   0   1   1.22080   26.02
  4   2   0   1.21480    4.41
 -2   3   3   1.21390    0.48
 -2   6   1   1.21340   11.51
  2   6   1   1.21200   20.48
 -4   1   1   1.21160    9.89
  2   3   3   1.20970    0.00
  3   5   0   1.20930    1.38
  4   1   1   1.20880    0.02
  1   7   0   1.20320    7.07
  0   7   1   1.19800   20.60
 -1   6   2   1.19770    0.71
  1   6   2   1.19630    5.24
  0   0   4   1.17820   24.32
 -4   2   1   1.17760    0.01
  4   2   1   1.17510    1.57
 -3   5   1   1.17240    1.33
  3   5   1   1.17040   19.51
  0   1   4   1.16750    0.72
 -1   7   1   1.16610    0.41
  1   7   1   1.16550    3.16
  0   5   3   1.16430    1.48
 -3   4   2   1.16110    6.11
  4   3   0   1.15920    0.25
  3   4   2   1.15740    0.29
 -3   1   3   1.14240    5.94

#COMP: Aluminum hydroxide
#NAMEALT: Doyleite (gibbsite) (bauxite)
#FORMULA: Al H3 O3
#CELL_PARAMETERS: 4.9997 5.1681 4.9832 97.444 118.688 104.661
#SPACE_GROUP: P -1
#REF: Clark, G. R.; Rodgers, K. A.; Henderson, G. S. (1998) Z. Kristallogr. 213, 96-100
#LIST: H  K  L  dsp  Int
  0   1   0   4.77610   19.15
 -1   0   1   4.28130    9.10
  0   0   1   4.17580    9.48
  1   0   0   4.08770    5.96
  1  -1   0   3.87630    5.31
  0  -1   1   3.73920    6.41
 -1   1   1   3.31630    4.04
 -1  -1   1   3.07350    0.50
  0   1   1   2.76450    0.77
  1   1   0   2.66480    0.13
  1  -1   1   2.52480    4.65
  1  -2   0   2.49270    0.38
 -1   0   2   2.46960    5.95
 -2   1   1   2.42040    3.71
 -2   0   1   2.41500    6.48
  0  -2   1   2.40160    0.00
  0   2   0   2.38800   22.17
  1   0   1   2.35810    5.92
 -1  -1   2   2.32120    5.42
  2  -1   0   2.18760    5.65
  0  -1   2   2.16220    1.91
 -1   2   1   2.15680    0.10
 -2   0   2   2.14070    3.79
  1  -2   1   2.12430   18.59
  0   0   2   2.08790    0.43
 -1   1   2   2.08520   26.39
  2   0   0   2.04390    0.47
 -1  -2   1   2.02090    0.42
 -2   1   2   2.01160    0.29
 -2   2   1   1.97020   59.40
 -2  -1   1   1.96150   15.12
  2  -2   0   1.93810    0.23
 -2  -1   2   1.90000    1.01
  0  -2   2   1.86960    0.78
  1   1   1   1.85550   94.26
  0   2   1   1.85050    1.94
 -1  -2   2   1.84140   98.85
  1   2   0   1.79760    1.18
  0   1   2   1.73410    5.86
  1  -3   0   1.70750    1.17
  2   1   0   1.67250    6.10
  1  -1   2   1.66230    1.07
  2  -1   1   1.66220    0.61
  0  -3   1   1.66000    2.36
 -2   2   2   1.65810    5.41
 -3   1   1   1.64360    0.76
  1  -3   1   1.63520   14.37
 -2   0   3   1.62290    0.06
 -1  -1   3   1.62210    3.38
 -1   2   2   1.61440   20.19
 -3   1   2   1.61380    0.70
 -1   0   3   1.60530    3.35
  2  -2   1   1.60230    3.45
 -3   0   2   1.59680    4.46
  0   3   0   1.59200    6.37
  1  -2   2   1.58720    8.51
 -3   0   1   1.56550   10.04
 -2  -1   3   1.56400   18.16
  2  -3   0   1.55960   19.99
  1   0   2   1.55320   20.27
 -3   2   1   1.54310    5.34
  2   0   1   1.53940   19.41
 -2  -2   2   1.53670    6.42
 -1   3   1   1.53090    0.45
 -2   3   1   1.52110   21.89
 -2  -2   1   1.51440   54.07
 -2   1   3   1.51060    5.61
  0  -3   2   1.49750   10.57
 -1  -2   3   1.47490   12.83
 -3   2   2   1.46900   14.38
  0  -1   3   1.45710   53.08
  3  -1   0   1.45700   58.96
 -1  -3   1   1.45630    0.02
 -1   1   3   1.43780    4.19
 -3  -1   2   1.43140    0.22
  1   2   1   1.43040    0.84
 -3   0   3   1.42710   56.80
  3  -2   0   1.42680   25.86
 -1  -3   2   1.42580    2.61
  2  -3   1   1.40750    2.79
 -3   1   3   1.39690   35.46
  0  -2   3   1.39550   23.07
  0   0   3   1.39190   18.26
  1  -3   2   1.38720    5.23
  0   2   2   1.38220   11.40
 -2  -2   3   1.37940    7.62
 -3  -1   1   1.36890    1.10
  3   0   0   1.36260    3.60
  0   3   1   1.35970    0.16
  1   1   2   1.34250    9.91
 -3  -1   3   1.33960    2.67
 -3   3   1   1.33940    8.43
  2   2   0   1.33240   14.66
  1   3   0   1.32940    0.66
 -2   3   2   1.32690    7.70
  2   1   1   1.32480    1.93
 -2   2   3   1.30800    0.18
  3  -3   0   1.29210    3.61
  1  -4   0   1.27750    0.08
  1  -4   1   1.27610   95.36
 -3   2   3   1.26840    4.04
 -1   3   2   1.26480  100.00
 -1  -3   3   1.26290    3.35
  2  -2   2   1.26240    6.78
  2  -1   2   1.26030   12.88
 -3   3   2   1.25930    2.09
  0  -4   1   1.24990    0.01
 -4   1   2   1.24950    0.19
  0  -3   3   1.24640   18.92
  2  -4   0   1.24630    6.12
  0   1   3   1.24130   31.73
 -2  -1   4   1.23530   18.21
 -2   0   4   1.23480    4.32
 -2  -3   2   1.23320    2.70
 -1   2   3   1.22430    2.95
 -3  -2   2   1.22020    4.94
  3  -2   1   1.21530   26.42
  1  -1   3   1.21130    2.29
 -4   2   2   1.21020   11.80
 -4   0   2   1.20750   39.78
  3  -1   1   1.20680    0.04
  1  -2   3   1.20650   12.13
 -1  -1   4   1.20460    7.01
 -4   1   1   1.20450   18.79
  0  -4   2   1.20080    1.41
  3   1   0   1.20050   39.48
 -2   4   1   1.20000   32.39
 -2  -3   1   1.19540   51.48
  0   4   0   1.19400   53.14
 -4   2   1   1.19350    0.07
 -3   0   4   1.19140   11.02
 -4   1   3   1.18990    1.56
  2  -4   1   1.18870    5.26
 -3  -2   3   1.18580   48.70
  2  -3   2   1.18420   58.12
  2   0   2   1.17910   13.80
 -4   0   3   1.17690   15.05
 -1   4   1   1.17350    0.86
 -1   0   4   1.17290   17.68
 -2  -3   3   1.17040    0.39
  1  -4   2   1.17030    9.23
 -1  -2   4   1.16310    3.15
 -3  -1   4   1.16160    0.97
 -2  -2   4   1.16060   20.23
 -2   1   4   1.15930   85.39
 -3  -2   1   1.15710   12.08
  3  -3   1   1.15070   21.13
 -3   1   4   1.15040   12.69
  1   0   3   1.14420    6.14

#COMP: Aluminum hydroxide
#NAMEALT: Nordstrandite (gibbsite) (bauxite)
#FORMULA: Al H3 O3
#CELL_PARAMETERS: 5.1140 5.0820 5.1270 70.270 74.000 58.470
#SPACE_GROUP: P -1
#REF: Bosmans, H. J. (1970) Acta Cryst. B26, 649-652
#LIST: H  K  L  dsp  Int
  0   0   1   4.78910   11.85
  1   0   0   4.32560    2.18
  0   1   0   4.20930    1.62
  1   1   0   4.16320    1.62
  1   1   1   3.89400    2.83
  0   1   1   3.61270    2.99
  1   0   1   3.42750    0.26
 -1   0   1   3.02930    0.81
  0  -1   1   2.84600    2.10
 -1  -1   1   2.70520    0.12
  1   2   1   2.50270   20.82
  1   1   2   2.48910    0.27
  1  -1   0   2.48400   13.55
  2   1   1   2.48320    1.83
  2   1   0   2.45560   43.18
  0   0   2   2.39450   36.58
  1   2   0   2.39160   35.03
  0   1   2   2.33130    2.32
 -1   1   1   2.26940   51.60
  2   2   1   2.21570    1.95
  1   0   2   2.21400    0.99
  2   0   0   2.16280    0.14
  1  -1   1   2.14580   33.28
  0   2   1   2.11990    0.03
  0   2   0   2.10460    0.13
  2   2   0   2.08160    0.00
  1   2   2   2.07750   22.83
  2   0   1   2.06930    1.21
  2   1   2   2.01740   85.46
 -1   0   2   1.99320    1.56
 -2  -1   1   1.97370    1.78
  2   2   2   1.94700    0.49
 -1  -2   1   1.89930   96.34
  0  -1   2   1.89770    0.08
 -2   0   1   1.88570    2.36
 -1  -1   2   1.81730    2.43
  0   2   2   1.80640    3.78
 -1   1   2   1.78610   86.56
  0  -2   1   1.77830    4.05
  2   0   2   1.71380    0.66
  1   1   3   1.70480    1.67
 -2  -2   1   1.70230    1.96
  3   2   1   1.67930    0.72
  2   3   1   1.67110    1.18
  1  -1   2   1.66790   14.93
  3   1   1   1.65460    8.88
  1   3   1   1.65240    2.06
  2  -1   0   1.63390    0.06
  0   1   3   1.62530    0.41
  3   1   0   1.62030    0.18
  1  -2   0   1.61460    0.41
  1   2   3   1.59940   24.88
 -1   2   1   1.59670    1.68
  0   0   3   1.59640    9.19
  3   2   0   1.59390    0.55
  2   3   2   1.59160    2.92
  3   2   2   1.57560    5.50
  1   3   0   1.57170    4.92
  2   3   0   1.56440    7.14
  1   0   3   1.56160    1.08
  2   2   3   1.55960   22.57
  1   3   2   1.55260    0.93
  2   1   3   1.54960   24.47
  2  -1   1   1.54710    0.07
 -2   1   1   1.54560    1.46
 -2  -1   2   1.51660   80.10
 -2   0   2   1.51470    0.70
  3   1   2   1.51290   19.83
  3   3   1   1.47950   66.47
  1  -2   1   1.47110    0.87
 -1  -2   2   1.46370    0.55
  0   2   3   1.44700    1.58
  3   0   0   1.44190   60.43
  0   3   1   1.44140  100.00
  3   3   2   1.44100   43.78
 -1   0   3   1.44090    2.47
 -3  -1   1   1.43790    0.50
 -1   2   2   1.43130    3.34
  3   0   1   1.43030   64.02
  0  -2   2   1.42300    1.13
  0   3   0   1.40310   22.71
  2   3   3   1.38850    0.04
  0  -1   3   1.38790    2.38
  3   3   0   1.38770    1.03
 -3  -2   1   1.38690    3.78
 -1   1   3   1.38680    0.42
 -1  -3   1   1.37280    3.81
  2   0   3   1.36760   10.98
  3   2   3   1.36310    6.88
  0   3   2   1.35850    3.88
 -2  -3   1   1.35290    0.21
 -2  -2   2   1.35260    2.87
  2  -1   2   1.35070    8.60
 -2   1   2   1.34860    0.62
  1   3   3   1.34760    2.18
 -1  -1   3   1.34090    3.84
 -3   0   1   1.33590    6.32
  3   0   2   1.30870    1.71
  1  -1   3   1.30300   89.45
  3   3   3   1.29800    4.51
  3   1   3   1.29570    0.00
  4   2   1   1.27780    0.71
  1   1   4   1.27630    2.95
  0  -3   1   1.26810   28.44
  2   4   1   1.26450   32.05
  1  -2   2   1.26210    0.42
  1   2   4   1.25260   77.51
  2   4   2   1.25130    7.43
  2   2   4   1.24450   13.95
  2  -2   0   1.24200    0.00
  4   2   2   1.24160   25.29
  0   1   4   1.23060    0.85
  4   3   1   1.22860   25.13
  4   2   0   1.22780   80.38
 -2   2   1   1.22270   46.42
 -3  -3   1   1.22270   40.29
 -1   2   3   1.22060    5.88
  3   4   1   1.21990    0.00
  3   4   2   1.21870   21.70
 -3  -1   2   1.21840    0.32
  2   1   4   1.21770   13.73
  4   1   1   1.21690    9.87
  4   3   2   1.21690    0.86
 -2   0   3   1.21470    1.42
  1   4   1   1.20760    2.41
  0   3   3   1.20420   37.71
  3  -1   0   1.20040    0.04
  0   0   4   1.19730   48.91
  2   4   0   1.19580    5.81
 -2  -1   3   1.19520   58.38
  4   1   0   1.19280    2.10
 -1   3   1   1.19250    1.38
  1   0   4   1.19240   20.79
  1   4   2   1.18600    8.16
  2  -2   1   1.18270   82.76
  1  -3   0   1.18020    4.25
  3  -1   1   1.17420    8.56
 -3   0   2   1.17290   41.21
  2   3   4   1.17060    8.97
 -3  -2   2   1.16780    3.57
  4   1   2   1.16650    0.01
  0   2   4   1.16560    2.28
  4   3   0   1.16500    7.66
  2   4   3   1.16320   76.38
 -1  -2   3   1.15970   43.37
 -1  -3   2   1.15960    0.99
  1   4   0   1.15640    1.23
 -3   1   1   1.15470    0.28
  3   4   0   1.14880    3.48

#COMP: Magnesium hydroxide
#NAMEALT: Brucite
#FORMULA: Mg O2 H2
#CELL_PARAMETERS: 3.1420 3.1420 4.7660 90.000 90.000 120.000
#SPACE_GROUP: P -3 m 1
#REF: Zigan, F; Rothbauer, R. (1967) Neues Jahrbuch fuer Mineralogie, 137-143
#LIST: H  K  L  dsp  Int
  0   0   1   4.76600   32.24
  1   0   0   2.72110    0.02
  0   0   2   2.38300   54.96
  1   0   1   2.36300   27.26
  0   1   1   2.36300    5.84
  1   0   2   1.79270    0.37
  0   1   2   1.79270   93.68
  0   0   3   1.58870    1.42
  1   1   0   1.57100   10.01
  1   1   1   1.49200   32.24
  1   0   3   1.37200  100.00
  0   1   3   1.37200   35.24
  2   0   0   1.36050    0.02
  1   1   2   1.31160   54.96
  2   0   1   1.30830    5.84
  0   2   1   1.30830   27.26
  0   0   4   1.19150   40.52
  0   2   2   1.18150    0.37
  2   0   2   1.18150   93.68
  1   1   3   1.11710    1.42

#COMP: Silicon oxide
#NAMEALT: Quartz
#FORMULA: Si O2
#CELL_PARAMETERS: 4.9124 4.9124 5.4039 90.000 90.000 120.000
#SPACE_GROUP: P 32 2 1
#REF: Will, G; Bellotto, M; Parrish, W; Hart, M. (1988) J. Appl. Cryst. 21, 182-191
#LIST: H  K  L  dsp  Int
  1   0   0   4.25430    7.64
  0   1   1   3.34270   53.24
  1   0   1   3.34270   22.57
  1   1   0   2.45620   16.19
  1   0   2   2.28080   12.13
  0   1   2   2.28080    7.10
  1   1   1   2.23610    5.15
  2   0   0   2.12710   11.18
  0   2   1   1.97930    4.45
  2   0   1   1.97930   16.53
  1   1   2   1.81750   36.86
  0   0   3   1.80130    0.54
  0   2   2   1.67130   33.16
  2   0   2   1.67130    6.67
  1   0   3   1.65870    1.97
  0   1   3   1.65870   14.82
  2   1   0   1.60800    3.59
  2   1   1   1.54120   15.27
  1   2   1   1.54120   32.57
  1   1   3   1.45250   12.41
  3   0   0   1.41810    7.60
  2   1   2   1.38180   14.49
  1   2   2   1.38180   28.68
  2   0   3   1.37460  100.00
  0   2   3   1.37460   10.80
  0   3   1   1.37160   73.58
  3   0   1   1.37160    3.03
  0   1   4   1.28760    2.27
  1   0   4   1.28760   47.24
  0   3   2   1.25570   30.60
  3   0   2   1.25570   38.03

#COMP: Aluminium oxide hydroxide (gamma)
#NAMEALT: Bohemite
#FORMULA: Al H O2
#CELL_PARAMETERS: 2.8656 12.2260 3.6886 90.000 90.000 90.000
#SPACE_GROUP: C m c m
#REF: Bokhimi, X.; Sanchez-Valente J; Pedraza, F. J. (2002) Solid State Chem. 166, 182-190
#LIST: H  K  L  dsp  Int
  0   2   0   6.11300    7.71
  0   2   1   3.15820    9.41
  0   4   0   3.05650    0.06
  1   1   0   2.79000    2.22
  0   4   1   2.35350   20.51
  1   3   0   2.34410   26.74
  1   1   1   2.22520   12.05
  0   6   0   2.03770    4.53
  1   3   1   1.97840    2.98
  1   5   0   1.86010   75.02
  0   0   2   1.84430  100.00
  0   6   1   1.78360    3.50
  0   2   2   1.76570    7.71
  1   5   1   1.66080   22.45
  0   4   2   1.57910    0.06
  1   1   2   1.53850    2.22
  0   8   0   1.52820   42.89
  1   7   0   1.49140    0.30
  1   3   2   1.44950   26.74
  2   0   0   1.43280  100.00
  0   8   1   1.41190    1.45
  2   2   0   1.39500    7.71
  1   7   1   1.38260    7.33
  0   6   2   1.36740    4.53
  1   5   2   1.30970   75.02
  2   2   1   1.30480    9.41
  2   4   0   1.29730    0.06
  1   9   0   1.22750    6.44
  2   4   1   1.22380   20.51
  0  10   0   1.22260   26.14
  0   2   3   1.20540    9.41
  0   8   2   1.17670   42.89
  2   6   0   1.17210    4.53
  1   9   1   1.16470   19.37
  0  10   1   1.16050   63.98
  1   7   2   1.15970    0.30
  0   4   3   1.14070   20.51

#COMP: Aluminium oxide hydroxide
#NAMEALT: Diaspore
#FORMULA: Al H O2
#CELL_PARAMETERS: 4.4010 9.4210 2.8450 90.000 90.000 90.000
#SPACE_GROUP: P b n m
#REF: Busing, W R; Levy, H A (1958) Acta Cryst. 11, 798-803
#LIST: H  K  L  dsp  Int
  0   2   0   4.71050    3.60
  1   1   0   3.98740   19.27
  1   2   0   3.21580    3.82
  1   3   0   2.55630    0.67
  0   2   1   2.43530    0.08
  1   0   1   2.38920    0.75
  0   4   0   2.35530    2.41
  1   1   1   2.31590    1.41
  2   0   0   2.20050   36.58
  2   1   0   2.14280    8.43
  1   2   1   2.13080   30.68
  1   4   0   2.07660   47.77
  2   2   0   1.99370    0.40
  1   3   1   1.90150    9.13
  0   4   1   1.81420    0.89
  2   3   0   1.80210    8.91
  1   5   0   1.73210   13.22
  2   1   1   1.71160   35.55
  1   4   1   1.67730    0.00
  2   2   1   1.63270   53.56
  2   4   0   1.60790    8.98
  0   6   0   1.57020   16.29
  2   3   1   1.52240    2.59
  1   5   1   1.47950   21.32
  1   6   0   1.47890    0.27
  3   1   0   1.44950    3.10
  2   5   0   1.43120   22.63
  0   0   2   1.42250   66.74
  3   2   0   1.40060   13.78
  2   4   1   1.39980    0.20
  0   6   1   1.37470  100.00
  0   2   2   1.36180    3.60
  1   1   2   1.33980   19.27
  3   3   0   1.32910   31.67
  1   6   1   1.31220    1.40
  3   0   1   1.30390    0.01
  1   2   2   1.30090    3.82
  3   1   1   1.29160    0.00
  1   7   0   1.28700    0.23
  2   5   1   1.27850    0.68
  2   6   0   1.27810    6.90
  3   2   1   1.25660   35.73
  3   4   0   1.24520   42.40
  1   3   2   1.24300    0.67
  0   4   2   1.21760    2.41
  3   3   1   1.20420   30.99
  2   0   2   1.19460   36.58
  2   1   2   1.18510    8.43
  0   8   0   1.17760   25.63
  1   4   2   1.17360   47.77
  1   7   1   1.17260    1.70
  2   6   1   1.16590   22.48
  2   2   2   1.15800    0.40
  3   5   0   1.15750   10.00
  2   7   0   1.14810    1.86

#COMP: Iron(III) oxide hydroxide
#NAMEALT: Goethite
#FORMULA: Fe H O2
#CELL_PARAMETERS: 4.6188 9.9528 3.0236 90.000 90.000 90.000
#SPACE_GROUP: P b n m
#REF: Hazemann, J L; Berar, J F; Manceau, A. (1991) Mat. Sci. Forum 79, 821-826
#LIST: H  K  L  dsp  Int
  0   2   0   4.97640    3.51
  1   1   0   4.18960    5.24
  1   2   0   3.38540    1.34
  1   3   0   2.69450   12.04
  0   2   1   2.58400    0.98
  1   0   1   2.52980    1.18
  0   4   0   2.48820    8.65
  1   1   1   2.45180   11.34
  2   0   0   2.30940    2.39
  1   2   1   2.25510   12.94
  2   1   0   2.24960    0.04
  1   4   0   2.19060   26.84
  2   2   0   2.09480    1.72
  1   3   1   2.01160    0.25
  0   4   1   1.92130    4.04
  2   3   0   1.89540    0.03
  1   5   0   1.82800    4.30
  2   1   1   1.80490   11.12
  1   4   1   1.77390    1.46
  2   2   1   1.72190   33.59
  2   4   0   1.69270   25.77
  0   6   0   1.65880    3.16
  2   3   1   1.60590    4.11
  1   5   1   1.56430   22.89
  1   6   0   1.56120    0.50
  3   1   0   1.52150    0.71
  0   0   2   1.51180  100.00
  2   5   0   1.50780   15.62
  2   4   1   1.47700    3.90
  3   2   0   1.47080    6.93
  0   6   1   1.45430   60.88
  0   2   2   1.44650    0.06
  1   1   2   1.42210   15.37
  3   3   0   1.39650   33.22
  1   6   1   1.38720    0.60
  1   2   2   1.38040    1.34
  3   0   1   1.37200   15.84
  3   1   1   1.35910    1.64
  1   7   0   1.35890    9.01
  2   5   1   1.34930    0.42
  2   6   0   1.34730    2.43
  3   2   1   1.32260   10.96
  1   3   2   1.31850    3.38
  3   4   0   1.30920    2.16
  0   4   2   1.29200    1.72
  3   3   1   1.26780   14.92
  2   0   2   1.26490    0.01
  2   1   2   1.25480    0.04
  1   4   2   1.24420   26.84
  0   8   0   1.24410    7.51
  1   7   1   1.23950    0.00
  2   6   1   1.23060    2.00
  2   2   2   1.22590    0.10
  3   5   0   1.21780    0.22
  2   7   0   1.21080    2.95
  3   4   1   1.20140    6.07
  1   8   0   1.20130    3.00
  2   3   2   1.18190    0.03
  1   5   2   1.16500    0.20
  4   0   0   1.15470    6.96
  0   8   1   1.15050   13.68
  4   1   0   1.14700   32.44

#COMP: Iron(III) oxide (alpha)
#NAMEALT: Hematite
#FORMULA: Fe2 O3
#CELL_PARAMETERS: 5.0079 5.0079 13.6467 90.000 90.000 120.000
#SPACE_GROUP: R -3 c
#REF: Finger, L W; Hazen, R M (1980) J. Appl. Phys. 51, 5362-5367
#LIST: H  K  L  dsp  Int
  0   1   2   3.66020    3.66
  1   0   4   2.68140   17.94
  1   1   0   2.50390    9.26
  0   0   6   2.27440    1.71
  1   1   3   2.19360   17.79
  2   0   2   2.06660    0.17
  0   2   4   1.83010   32.84
  1   1   6   1.68360   37.82
  2   1   1   1.62750    1.99
  1   2   2   1.59390    0.84
  0   1   8   1.58750   12.34
  2   1   4   1.47750   27.38
  3   0   0   1.44570  100.00
  1   2   5   1.40530    1.99
  2   0   8   1.34070    4.07
  1   0  10   1.30170   33.05
  1   1   9   1.29700   17.79
  2   1   7   1.25460    1.99
  2   2   0   1.25200   10.30
  0   3   6   1.22010    0.65
  3   0   6   1.22010    0.65
  2   2   3   1.20710   14.04
  1   3   1   1.19820    0.88
  3   1   2   1.18460    6.65
  1   2   8   1.18200    6.33
  0   2  10   1.15500   18.09
  0   0  12   1.13720   21.62

#COMP: Titanium oxide
#NAMEALT: Anatase
#FORMULA: Ti O2
#CELL_PARAMETERS: 3.7892 3.7892 9.5370 90.000 90.000 90.000
#SPACE_GROUP: I 41/a m d
#REF: Horn, M; Schwerdtfeger, C F; Meagher, E P (1972) Z. Kristallogr. 136, 273-281
#LIST: H  K  L  dsp  Int
  1   0   1   3.52140    0.02
  1   0   3   2.43540   18.93
  0   0   4   2.38420    2.81
  1   1   2   2.33590    0.00
  2   0   0   1.89460    0.00
  2   0   2   1.76070  100.00
  1   0   5   1.70370    8.43
  2   1   1   1.66840    0.02
  2   1   3   1.49540   18.93
  2   0   4   1.48330    0.00
  1   1   6   1.36700    0.00
  2   2   0   1.33970   36.84
  1   0   7   1.28210   29.38
  2   1   5   1.26680    8.43
  3   0   1   1.25210    0.02
  2   0   6   1.21770    5.83
  0   0   8   1.19210   49.40
  3   0   3   1.17380   18.93
  2   2   4   1.16790    2.81
  3   1   2   1.16210    0.00
  3   1   4   1.07060    0.00

#COMP: Titanium oxide
#NAMEALT: Rutile
#FORMULA: Ti O2
#CELL_PARAMETERS: 4.5930 4.5930 2.9590 90.000 90.000 90.000
#SPACE_GROUP: P 42/m n m
#REF: Meagher, E. P.; Lager, G. A. (1979) Canad. Miner. 17, 77-85
#LIST: H  K  L  dsp  Int
  1   1   0   3.24770    3.00
  1   0   1   2.48750   35.92
  2   0   0   2.29650  100.00
  1   1   1   2.18730   68.18
  2   1   0   2.05410   31.14
  2   1   1   1.68740    0.13
  2   2   0   1.62390    7.01
  0   0   2   1.47950   39.34
  3   1   0   1.45240   28.48
  2   2   1   1.42360   13.28
  3   0   1   1.35980   24.56
  1   1   2   1.34640    2.79
  3   1   1   1.30380   17.71
  3   2   0   1.27390    8.09
  2   0   2   1.24370   88.21
  2   1   2   1.20050   27.15
  3   2   1   1.17000   69.98
  4   0   0   1.14820    1.09

#COMP: Titanium oxide
#NAMEALT: Brookite
#FORMULA: Ti O2
#CELL_PARAMETERS: 9.1740 5.4490 5.1380 90.000 90.000 90.000
#SPACE_GROUP: P b c a
#REF: Meagher, E. P.; Lager, G. A. (1979) Canad. Miner. 17, 77-85
#LIST: H  K  L  dsp  Int
  2   0   0   4.58700    0.04
  2   1   0   3.50920    0.15
  1   1   1   3.46190    0.07
  2   1   1   2.89780    2.55
  0   2   0   2.72450    1.76
  0   0   2   2.56900    1.66
  1   0   2   2.47380   13.73
  0   2   1   2.40700   19.03
  3   1   1   2.36690    8.90
  2   2   0   2.34250    3.46
  1   2   1   2.32820   23.57
  4   0   0   2.29350  100.00
  1   1   2   2.25260   12.32
  2   0   2   2.24140   39.49
  2   2   1   2.13140   18.79
  4   1   0   2.11390    0.07
  2   1   2   2.07290    0.24
  3   0   2   1.96700    0.16
  4   1   1   1.95490    0.48
  3   2   1   1.89140    8.91
  0   2   2   1.86910    2.50
  3   1   2   1.85020    0.92
  1   2   2   1.83150    0.73
  4   2   0   1.75460    0.08
  2   2   2   1.73090    0.03
  4   0   2   1.71090    0.06
  2   3   0   1.68880    1.83
  1   3   1   1.68340    1.10
  4   2   1   1.66040    0.85
  5   1   1   1.64710    0.00
  4   1   2   1.63230    2.55
  1   1   3   1.60860    1.99
  2   3   1   1.60430    0.62
  3   2   2   1.59480    0.01
  2   1   3   1.53910    0.24
  6   0   0   1.52900    0.12
  3   3   1   1.49410    6.38
  5   0   2   1.49310    0.27
  6   1   0   1.47210   17.72
  1   3   2   1.46410    7.58
  5   2   1   1.45920    2.66
  0   2   3   1.45000    6.61
  4   2   2   1.44890    1.53
  3   1   3   1.44110    7.30
  5   1   2   1.44000    4.52
  1   2   3   1.43220    3.60
  4   3   0   1.42390    1.10
  6   1   1   1.41520    1.37
  2   3   2   1.41120    0.97
  2   2   3   1.38250    1.49
  4   3   1   1.37220    0.99
  0   4   0   1.36220   28.38
  3   3   2   1.33440    1.73
  6   2   0   1.33340    3.26
  4   1   3   1.33070    0.38
  0   4   1   1.31680    1.59
  6   0   2   1.31390   28.05
  3   2   3   1.31020   12.30
  5   2   2   1.30940    0.42
  2   4   0   1.30590    0.09
  1   4   1   1.30340    4.61
  6   2   1   1.29060   18.32
  0   0   4   1.28450   19.03
  6   1   2   1.27730    0.28
  1   0   4   1.27210    6.00
  2   4   1   1.26560    3.43
  5   3   1   1.25190    0.43
  4   3   2   1.24540    2.79
  1   1   4   1.23880   10.93
  2   0   4   1.23690    8.53
  7   1   1   1.23680    4.25
  1   3   3   1.23470   12.05
  4   2   3   1.22560   21.62
  5   1   3   1.22020   20.75
  3   4   1   1.20940    0.21
  2   1   4   1.20620    2.71
  0   4   2   1.20350    2.14
  2   3   3   1.20250    0.01
  1   4   2   1.19330    9.97
  3   0   4   1.18430   18.00
  6   2   2   1.18350    0.09
  4   4   0   1.17120   72.42
  6   3   0   1.16970   25.51
  7   0   2   1.16740    1.92
  2   4   2   1.16410   31.13
  0   2   4   1.16180    1.80
  3   1   4   1.15730   13.05
  3   3   3   1.15400   12.02
  5   3   2   1.15340    0.15
  1   2   4   1.15260    0.21
  7   2   1   1.15100   17.32
  8   0   0   1.14670   13.48

#COMP: Silicon oxide
#NAMEALT: Cristobalite (alpha)
#FORMULA: Si O2
#CELL_PARAMETERS: 4.9717 4.9717 6.9223 90.000 90.000 90.000
#SPACE_GROUP: P 41 21 2
#REF: Downs, R. T.; Palmer, D. C. (1994) Am. Miner. 79, 9-14
#COMMENT: alpha, low temperature tetragonal
#LIST: H  K  L  dsp  Int
  1   0   1   4.03810   64.06
  1   1   0   3.51550    1.34
  1   1   1   3.13450   11.91
  1   0   2   2.84060   24.83
  2   0   0   2.48580   74.05
  1   1   2   2.46640    0.56
  2   0   1   2.33960   13.92
  2   1   0   2.22340   17.93
  2   1   1   2.11690    1.40
  1   0   3   2.09300   13.76
  2   0   2   2.01910   40.78
  1   1   3   1.92900   60.97
  2   1   2   1.87070   39.09
  2   2   0   1.75780    0.07
  0   0   4   1.73060    3.28
  2   2   1   1.70370   39.13
  2   0   3   1.69120   36.87
  1   0   4   1.63440   21.51
  3   0   1   1.61170  100.00
  2   1   3   1.60110    0.02
  3   1   0   1.57220    5.79
  2   2   2   1.56720    0.32
  1   1   4   1.55260    0.09
  3   1   1   1.53310   14.09
  3   0   2   1.49470   38.72
  3   1   2   1.43140   15.87
  2   0   4   1.42030    7.44
  2   2   3   1.39830   44.51
  3   2   0   1.37890   14.25
  2   1   4   1.36570   43.52
  3   2   1   1.35230    6.20
  3   0   3   1.34600   13.40
  1   0   5   1.33370   62.18
  3   1   3   1.29930   48.47
  1   1   5   1.28820   35.34
  3   2   2   1.28100   49.76
  4   0   0   1.24290    4.15
  2   2   4   1.23320   14.32
  4   0   1   1.22340   46.33
  2   0   5   1.20950    0.12
  4   1   0   1.20580   41.16
  3   0   4   1.19690    1.40
  4   1   1   1.18790   37.99
  3   2   3   1.18370   56.59
  2   1   5   1.17520   40.77
  3   3   0   1.17180   16.97
  4   0   2   1.16980   88.08
  3   1   4   1.16370   95.15
  3   3   1   1.15540   25.18
  4   1   2   1.13870   22.41

#COMP: Silicon oxide
#NAMEALT: Cristobalite (beta)
#FORMULA: Si O2
#CELL_PARAMETERS: 7.1660 7.1660 7.1660 90.000 90.000 90.000
#SPACE_GROUP: F d -3 m
#REF: Peacor D P (1973) Z. Kristallogr. 138, 274-298
#COMMENT: beta, high temperature cubic
#LIST: H  K  L  dsp  Int
  1   1   1   4.13730   88.38
  2   2   0   2.53360   13.46
  3   1   1   2.16060    5.67
  2   2   2   2.06860  100.00
  4   0   0   1.79150   14.00
  3   3   1   1.64400   51.89
  4   2   2   1.46280   39.16
  3   3   3   1.37910   17.73
  5   1   1   1.37910    4.05
  4   4   0   1.26680   98.78
  5   3   1   1.21130   51.89
  4   4   2   1.19430   13.91
  6   2   0   1.13300   54.74

#COMP: Silicon oxide
#NAMEALT: Tridymite (beta)
#FORMULA: Si O2
#CELL_PARAMETERS: 5.0300 5.0300 8.2200 90.000 90.000 120.000
#SPACE_GROUP: P 63/m m c
#REF: Wyckoff, R. W. G. (1931) Structure of Crystals (2n edition), 239-248
#COMMENT: beta, high temperature
#LIST: H  K  L  dsp  Int
  1   0   0   4.35610   16.64
  0   0   2   4.11000   30.75
  1   0   1   3.84900    6.09
  1   0   2   2.98940    3.43
  1   1   0   2.51500    6.94
  1   0   3   2.31930    0.26
  2   0   0   2.17810   10.81
  1   1   2   2.14520    3.32
  2   0   1   2.10540    6.09
  0   0   4   2.05500   54.27
  2   0   2   1.92450   30.41
  1   0   4   1.85860    7.63
  2   0   3   1.70500    0.26
  2   1   0   1.64650   16.64
  2   1   1   1.61440    6.09
  1   1   4   1.59130    0.00
  1   0   5   1.53810   13.70
  2   1   2   1.52840    3.43
  2   0   4   1.49470   21.20
  3   0   0   1.45200    6.94
  3   0   1   1.42990    0.00
  2   1   3   1.41130    0.26
  0   0   6   1.37000    3.32
  3   0   2   1.36910    3.32
  2   0   5   1.31220   13.70
  1   0   6   1.30690    0.00
  2   1   4   1.28490    7.63
  3   0   3   1.28300    0.00
  2   2   0   1.25750  100.00
  3   1   0   1.20820   16.64
  1   1   6   1.20310   30.75
  2   2   2   1.20250   30.75
  3   1   1   1.19530    6.09
  3   0   4   1.18590    0.00
  2   1   5   1.16340   13.70
  2   0   6   1.15970   54.42
  3   1   2   1.15910    3.43
  1   0   7   1.13380    0.52

#COMP: Silicon oxide
#NAMEALT: Tridymite
#FORMULA: Si O2
#CELL_PARAMETERS: 5.0070 8.6004 8.2169 90.000 91.512 90.000
#SPACE_GROUP: C c
#REF: Graetsch, H.; Topalovic-Dierdorf I (1996) Eur. J. Miner. 8, 103-113
#COMMENT: MC, low temperature
#LIST: H  K  L  dsp  Int
  1   1   0   4.32600   42.80
  0   2   0   4.30020   39.57
  0   0   2   4.10700  100.00
 -1   1   1   3.86410   13.07
  0   2   1   3.80970   15.74
  1   1   1   3.79210   17.56
 -1   1   2   3.01300   13.11
  0   2   2   2.97000   16.13
  1   1   2   2.94520    6.33
  2   0   0   2.50260   34.37
  1   3   0   2.48770   21.22
 -1   3   1   2.38960    8.36
  1   3   1   2.37220   11.67
 -1   1   3   2.33780    2.98
  0   2   3   2.30960    1.59
  1   1   3   2.29010    4.42
  2   2   0   2.16300    6.56
 -2   0   2   2.16260    6.92
  0   4   0   2.15010    3.07
 -1   3   2   2.14020    6.59
  1   3   2   2.11550   12.93
  2   0   2   2.11250   31.97
 -2   2   1   2.10350    8.70
  2   2   1   2.08000    7.01
  0   4   1   2.08000   13.91
  0   0   4   2.05350   57.79
 -2   2   2   1.93210   26.74
  0   4   2   1.90490   13.23
  2   2   2   1.89610    9.06
 -1   1   4   1.87170   11.15
 -1   3   3   1.85330    4.34
  0   2   4   1.85310   25.02
  1   1   4   1.83890    4.47
  1   3   3   1.82930   11.84
 -2   2   3   1.71640    5.30
  0   4   3   1.69100    9.62
  2   2   3   1.67880    2.72
  3   1   0   1.63790   15.51
  2   4   0   1.63090   13.66
  1   5   0   1.62670    5.39
 -3   1   1   1.61430   13.52
 -2   0   4   1.60840    1.21
 -2   4   1   1.60490    0.50
  3   1   1   1.59830    2.71
 -1   5   1   1.59830   25.75
  2   4   1   1.59440   13.09
 -1   3   4   1.59390    0.72
  1   5   1   1.59310    2.32
  1   3   4   1.57360    7.10
  2   0   4   1.56730   24.48
 -1   1   5   1.54760    4.66
 -3   1   2   1.53510    7.16
  0   2   5   1.53460    6.37
 -2   4   2   1.52480    8.02
  1   1   5   1.52430   15.63
 -1   5   2   1.51690    1.21
  3   1   2   1.50800    6.40
  1   5   2   1.50800    4.12
  2   4   2   1.50690    5.60
 -2   2   4   1.50650   20.26
  0   4   4   1.48500    9.25
  2   2   4   1.47260    1.85
  3   3   0   1.44200   14.17
  0   6   0   1.43340    1.50
 -3   3   1   1.42580    5.12
 -3   1   3   1.42190   14.37
  3   3   1   1.41480    8.46
  0   6   1   1.41210   13.77
 -2   4   3   1.41190    0.83
 -1   5   3   1.40380   23.05
  1   5   3   1.39330    0.18
  2   4   3   1.39070    9.71
  3   1   3   1.38980    3.43
 -1   3   5   1.37920    1.94
 -3   3   2   1.37040    1.46
  0   0   6   1.36900    0.10
  1   3   5   1.36270    9.84
  0   6   2   1.35330    0.69
  3   3   2   1.35100    4.99
 -2   2   5   1.32290    6.08
 -1   1   6   1.31390    3.16
  0   4   5   1.30540   11.95
  0   2   6   1.30450   10.95
 -3   1   4   1.29700    2.83
  1   1   6   1.29670    4.02
  2   2   5   1.29410    4.87
 -3   3   3   1.28800    2.27
 -2   4   4   1.28790    3.72
 -1   5   4   1.28050    1.05
  0   6   3   1.26990    3.64
  1   5   4   1.26980    3.43
  2   4   4   1.26650    2.98
  3   1   4   1.26460    2.77
  3   3   3   1.26400    6.39
  4   0   0   1.25130   20.70
  2   6   0   1.24380   11.50
 -2   6   1   1.23220    9.55
  2   6   1   1.22740    7.96
 -2   0   6   1.21460   13.38
 -1   3   6   1.20610    5.96
 -4   0   2   1.20590   14.78
  4   2   0   1.20150   16.48
  3   5   0   1.19760    3.39
 -2   6   2   1.19480    6.15
  1   7   0   1.19320    0.64
 -4   2   1   1.19320    3.40
 -3   3   4   1.19300    0.09
  1   3   6   1.19280    5.73
 -3   5   1   1.18830   10.98
  4   0   2   1.18830    5.48
  2   0   6   1.18790   23.62
  2   6   2   1.18610    4.12
  4   2   1   1.18450    0.57
  3   5   1   1.18190   17.42
 -1   7   1   1.18190   16.29
  1   7   1   1.17980   13.20
  0   6   4   1.17540    1.83
 -3   1   5   1.17520   14.28
 -2   2   6   1.16890   15.78
  3   3   4   1.16760    1.40
 -2   4   5   1.16750    3.82
 -4   2   2   1.16110    7.93
 -1   5   5   1.16090   18.65
 -3   5   2   1.15560    4.62
  0   4   6   1.15480    7.44
  1   5   5   1.15100    4.07
 -1   7   2   1.14780    1.20

#COMP: Copper
#FORMULA: Cu
#CELL_PARAMETERS: 3.6154 3.6154 3.6154 90.000 90.000 90.000
#SPACE_GROUP: F m -3 m
#LIST: H  K  L  dsp  Int
  1   1   1   2.08730  100.00
  2   0   0   1.80770   98.63
  2   2   0   1.27820   93.32
  3   1   1   1.09010   89.52

#COMP: Calcium difluoride
#NAMEALT: Fluorite
#FORMULA: Ca F2
#CELL_PARAMETERS: 5.4620 5.4620 5.4620 90.000 90.000 90.000
#SPACE_GROUP: F m -3 m
#REF: Catherine F. Smura; Dinah R. Parker; Mohamed Zbiri; Mark R. Johnson; Zoltán A. Gál; Simon J. Clarke (2011) JACS 133, 2691-2705
#LIST: H  K  L  dsp  Int
  1   1   1   3.15350    8.62
  2   0   0   2.73100   17.04
  2   2   0   1.93110  100.00
  3   1   1   1.64690    8.62
  2   2   2   1.57670   17.04
  4   0   0   1.36550  100.00
  3   3   1   1.25310    8.62
  4   2   0   1.22130   17.04
  4   2   2   1.11490  100.00

#COMP: Gold
#FORMULA: Au
#CELL_PARAMETERS: 4.0700 4.0700 4.0700 90.000 90.000 90.000
#SPACE_GROUP: F m -3 m
#REF: J. Spreadborough; J. W. Christian (1959) J. Sci. Instr. 36, 116-118
#LIST: H  K  L  dsp  Int
  1   1   1   2.34980  100.00
  2   0   0   2.03500  100.00
  2   2   0   1.43900  100.00
  3   1   1   1.22720  100.00
  2   2   2   1.17490  100.00
  4   0   0   1.01750  100.00

#COMP: Calcium sulfate
#NAMEALT: Anhydrite
#FORMULA: Ca S O4
#CELL_PARAMETERS: 6.9910 6.9960 6.2380 90.000 90.000 90.000
#SPACE_GROUP: A m m a
#REF: Cheng, G C H; Zussman, J (1963) Acta. Cryst. 16, 767-769
#LIST: H  K  L  dsp  Int
  0   1   1   4.65590    0.10
  1   1   1   3.87520    2.01
  0   2   0   3.49800   17.45
  2   0   0   3.49550   17.79
  0   0   2   3.11900    0.08
  1   0   2   2.84840    3.88
  2   1   1   2.79540    4.20
  2   2   0   2.47260    2.67
  0   2   2   2.32800   36.43
  2   0   2   2.32720   20.24
  1   2   2   2.20870    0.76
  0   3   1   2.18440   27.32
  1   3   1   2.08490    0.79
  3   1   1   2.08390   15.45
  0   1   3   1.99320   27.98
  2   2   2   1.93760    1.56
  1   1   3   1.91680    0.61
  3   0   2   1.86680   26.49
  2   3   1   1.85240   12.25
  0   4   0   1.74900   22.28
  4   0   0   1.74780   21.47
  2   1   3   1.73150    0.52
  3   2   2   1.64700   16.40
  4   1   1   1.63630    3.71
  3   3   1   1.59370   19.85
  2   4   0   1.56410    1.19
  4   2   0   1.56350    1.48
  0   0   4   1.55950    9.29
  0   3   3   1.55200    0.00
  0   4   2   1.52550   30.28
  4   0   2   1.52470   17.28
  1   0   4   1.52210    2.07
  1   3   3   1.51510    5.47
  3   1   3   1.51470    7.16
  1   4   2   1.49040    0.95
  0   2   4   1.42440    5.73
  2   0   4   1.42420    0.95
  2   3   3   1.41850   21.47
  2   4   2   1.39820    0.51
  4   2   2   1.39770    2.53
  1   2   4   1.39570    0.51
  0   5   1   1.36530    0.70
  4   3   1   1.36470   13.13
  1   5   1   1.34000    2.15
  5   1   1   1.33910    3.24
  2   2   4   1.31910   19.94
  4   1   3   1.31410    1.10
  3   0   4   1.29610   14.38
  3   3   3   1.29170    1.26
  3   4   2   1.27640   17.24
  5   0   2   1.27590    3.04
  2   5   1   1.27170    6.57
  4   4   0   1.23630    0.46
  0   1   5   1.22820    4.92
  3   2   4   1.21530   35.36
  1   1   5   1.20970    2.36
  5   2   2   1.19860    0.42
  3   5   1   1.17800   15.07
  5   3   1   1.17760    1.63
  0   6   0   1.16600   99.59
  6   0   0   1.16520  100.00
  0   4   4   1.16400    3.57
  4   0   4   1.16360    1.26
  0   5   3   1.16090   33.48
  4   3   3   1.16050   18.54
  2   1   5   1.15880   12.84
  4   4   2   1.14930    1.12

#COMP: Iron sulfide
#NAMEALT: Pyrite
#FORMULA: Fe S2
#CELL_PARAMETERS: 5.4179 5.4179 5.4179 90.000 90.000 90.000
#SPACE_GROUP: P a -3
#REF: Brostigen, G; Kjekshus, A (1969) Acta. Chem. Scand. 23, 2186-2188
#LIST: H  K  L  dsp  Int
  1   1   1   3.12800   39.47
  2   0   0   2.70900   80.06
  2   1   0   2.42300   11.16
  2   1   1   2.21180    6.21
  2   2   0   1.91550   71.27
  2   2   1   1.80600    0.14
  3   1   1   1.63360  100.00
  2   2   2   1.56400   70.31
  2   3   0   1.50270   16.76
  2   3   1   1.44800    3.72
  3   2   1   1.44800    9.33
  4   0   0   1.35450   11.96
  3   2   2   1.31400    0.21
  4   1   0   1.31400    0.57
  4   1   1   1.27700    0.32
  3   3   1   1.24300   50.72
  2   4   0   1.21150   61.19
  4   2   0   1.21150   61.19
  4   2   1   1.18230   10.60
  2   4   1   1.18230    0.01
  3   3   2   1.15510    5.59
  4   2   2   1.10590   69.14

#COMP: Lead
#FORMULA: Pb
#CELL_PARAMETERS: 4.9300 4.9300 4.9300 90.000 90.000 90.000
#SPACE_GROUP: F m -3 m
#REF: Davey, W P (1925) Phys. Rev. 25, 753-761
#LIST: H  K  L  dsp  Int
  1   1   1   2.84630  100.00
  2   0   0   2.46500  100.00
  2   2   0   1.74300  100.00
  3   1   1   1.48650  100.00
  2   2   2   1.42320  100.00
  4   0   0   1.23250  100.00
  3   3   1   1.13100  100.00

#COMP: Pentacalcium tris(phosphate) fluoride
#NAMEALT: Fluorapatite
#FORMULA: Ca5 F O12 P3
#CELL_PARAMETERS: 9.3700 9.3700 6.8800 90.000 90.000 120.000
#SPACE_GROUP: P 63/m
#REF: Hendricks, S B; Jefferson, M E; Mosley, V M (1932) Z. Kristallogr. 81, 352-639
#LIST: H  K  L  dsp  Int
  0   1   0   8.11470    2.26
  0   1   1   5.24770    0.25
  1   1   0   4.68500    1.94
  0   2   0   4.05730    1.67
  1   1   1   3.87240    1.41
  0   2   1   3.49490    0.73
  0   0   2   3.44000    3.13
  0   1   2   3.16720    0.41
  1   2   0   3.06710    0.07
  2   1   0   3.06710    2.76
  2   1   1   2.80130    4.15
  1   2   1   2.80130    0.68
  1   1   2   2.77280    3.56
  0   3   0   2.70490   20.01
  0   2   2   2.62390   13.07
  0   3   1   2.51730    2.12
  2   2   0   2.34250    3.26
  2   1   2   2.28930   10.54
  1   2   2   2.28930    0.02
  3   1   0   2.25060    6.10
  1   3   0   2.25060   27.04
  2   2   1   2.21750    0.00
  0   1   3   2.20690    0.24
  1   3   1   2.13910    0.97
  3   1   1   2.13910    3.82
  0   3   2   2.12630   11.03
  1   1   3   2.05980    2.97
  0   4   0   2.02870    0.56
  0   2   3   1.99650    3.40
  0   4   1   1.94580    0.06
  2   2   2   1.93620   24.75
  3   1   2   1.88330   10.09
  1   3   2   1.88330    6.56
  2   3   0   1.86160   10.69
  3   2   0   1.86160    0.00
  1   2   3   1.83670    1.96
  2   1   3   1.83670   12.95
  3   2   1   1.79700    1.42
  2   3   1   1.79700    2.27
  4   1   0   1.77080   17.41
  1   4   0   1.77080   13.15
  0   3   3   1.74920    2.12
  0   4   2   1.74740    4.56
  0   0   4   1.72000  100.00
  1   4   1   1.71490    0.01
  4   1   1   1.71490    0.06
  0   1   4   1.68260    3.78
  2   2   3   1.63870    1.78
  3   2   2   1.63730   24.73
  2   3   2   1.63730    0.13
  0   5   0   1.62290    4.32
  1   1   4   1.61460    8.27
  3   1   3   1.60630    3.00
  1   3   3   1.60630    0.97
  0   2   4   1.58360    0.01
  0   5   1   1.57960    3.48
  4   1   2   1.57440    0.34
  1   4   2   1.57440    1.29
  3   3   0   1.56170    3.58
  2   4   0   1.53350   10.86
  4   2   0   1.53350    0.00
  3   3   1   1.52290    2.01
  0   4   3   1.51950    0.06
  1   2   4   1.50020    3.65
  2   1   4   1.50020    0.21
  4   2   1   1.49680    1.32
  2   4   1   1.49680    0.42
  0   5   2   1.46780   12.74
  5   1   0   1.45740    2.10
  1   5   0   1.45740    0.13
  0   3   4   1.45140   10.69
  2   3   3   1.44540    0.39
  3   2   3   1.44540    7.60
  5   1   1   1.42580    3.92
  1   5   1   1.42580    0.09
  3   3   2   1.42200    3.45
  4   1   3   1.40160    2.54
  1   4   3   1.40160    1.62
  4   2   2   1.40070    1.31
  2   4   2   1.40070    2.61
  2   2   4   1.38640    1.45
  1   3   4   1.36660    3.66
  3   1   4   1.36660    0.69
  0   1   5   1.35660    0.80
  0   6   0   1.35240    8.60
  1   5   2   1.34200   10.68
  5   1   2   1.34200    1.75
  3   4   0   1.33400    0.42
  4   3   0   1.33400    3.34
  0   6   1   1.32700    0.02
  0   5   3   1.32480    3.33
  1   1   5   1.32020    5.60
  0   4   4   1.31190    0.56
  3   4   1   1.30960    0.72
  4   3   1   1.30960    9.36
  0   2   5   1.30310    3.80
  5   2   0   1.29940   60.88
  2   5   0   1.29940   20.83
  3   3   3   1.29080    2.89
  5   2   1   1.27680    1.06
  2   5   1   1.27680    0.96
  4   2   3   1.27480    1.32
  2   4   3   1.27480   11.24
  2   3   4   1.26330    8.01
  3   2   4   1.26330    1.61
  0   6   2   1.25870    0.67
  1   2   5   1.25540    0.36
  2   1   5   1.25540    1.98
  4   3   2   1.24380    0.10
  3   4   2   1.24380   25.16
  1   6   0   1.23750    2.50
  6   1   0   1.23750    3.39
  4   1   4   1.23380   22.81
  1   4   4   1.23380   17.86
  1   5   3   1.23010    3.35
  5   1   3   1.23010    6.52
  0   3   5   1.22640    2.12
  6   1   1   1.21790    0.57
  1   6   1   1.21790    9.73
  2   5   2   1.21560   32.68
  5   2   2   1.21560    6.18
  2   2   5   1.18650    0.32
  0   5   4   1.18040    0.19
  3   1   5   1.17400   11.91
  1   3   5   1.17400    0.97
  4   4   0   1.17120   10.96
  0   6   3   1.16500    0.02
  6   1   2   1.16440    3.19
  1   6   2   1.16440    2.13
  0   7   0   1.15920    5.83
  5   3   0   1.15920    1.38
  3   5   0   1.15920    0.00
  3   3   4   1.15620    9.57
  4   4   1   1.15460   10.32
  4   3   3   1.15310   16.37
  3   4   3   1.15310    0.72
  0   0   6   1.14670   46.78

#COMP: Pentacalcium tris(phosphate) chloride
#NAMEALT: Chlorapatite
#FORMULA: Ca5 Cl O12 P3
#CELL_PARAMETERS: 9.5200 9.5200 6.8500 90.000 90.000 120.000
#SPACE_GROUP: P 63/m
#REF: Hendricks, S B; Jefferson, M E; Mosley, V M (1932) Z. Kristallogr. 81, 352-639
#LIST: H  K  L  dsp  Int
  0   1   0   8.24460    1.14
  0   1   1   5.26870    0.23
  1   1   0   4.76000    3.03
  0   2   0   4.12230    0.75
  1   1   1   3.90890    1.35
  0   2   1   3.53200    0.71
  0   0   2   3.42500    0.06
  0   1   2   3.16290    0.79
  1   2   0   3.11620    0.02
  2   1   0   3.11620    1.49
  1   2   1   2.83640    0.64
  2   1   1   2.83640    3.88
  1   1   2   2.78010   11.25
  0   3   0   2.74820   22.34
  0   2   2   2.63440    3.93
  0   3   1   2.55060    2.00
  2   2   0   2.38000    4.58
  2   1   2   2.30490    2.65
  1   2   2   2.30490    2.68
  1   3   0   2.28660   29.51
  3   1   0   2.28660    4.03
  2   2   1   2.24820    0.00
  0   1   3   2.20050    0.23
  1   3   1   2.16900    0.91
  3   1   1   2.16900    3.66
  0   3   2   2.14350   22.30
  0   4   0   2.06110    0.11
  1   1   3   2.05870    2.85
  0   2   3   1.99740    3.25
  0   4   1   1.97370    0.06
  2   2   2   1.95450   40.08
  3   1   2   1.90170    2.42
  1   3   2   1.90170    1.00
  3   2   0   1.89140    0.20
  2   3   0   1.89140    7.74
  2   1   3   1.84180   12.23
  1   2   3   1.84180    1.85
  2   3   1   1.82320    2.16
  3   2   1   1.82320    1.32
  4   1   0   1.79910   19.68
  1   4   0   1.79910   15.25
  0   4   2   1.76600    0.31
  0   3   3   1.75620    1.99
  4   1   1   1.74010    0.05
  1   4   1   1.74010    0.01
  0   0   4   1.71250  100.00
  0   1   4   1.67670    2.27
  3   2   2   1.65570   10.89
  2   3   2   1.65570    1.37
  0   5   0   1.64890    2.65
  2   2   3   1.64770    1.69
  1   3   3   1.61570    0.91
  3   1   3   1.61570    2.89
  1   1   4   1.61140   10.32
  0   5   1   1.60310    3.33
  4   1   2   1.59270    4.34
  1   4   2   1.59270    6.86
  3   3   0   1.58670    4.95
  0   2   4   1.58150    0.11
  4   2   0   1.55810    0.16
  2   4   0   1.55810    7.88
  3   3   1   1.54570    1.93
  0   4   3   1.53000    0.06
  4   2   1   1.51930    1.24
  2   4   1   1.51930    0.38
  2   1   4   1.50080    0.00
  1   2   4   1.50080    2.26
  0   5   2   1.48570    3.75
  5   1   0   1.48080    1.03
  1   5   0   1.48080    0.00
  2   3   3   1.45660    0.38
  3   2   3   1.45660    7.19
  0   3   4   1.45340   12.47
  1   5   1   1.44730    0.09
  5   1   1   1.44730    3.68
  3   3   2   1.43970   11.05
  4   2   2   1.41820    6.75
  2   4   2   1.41820    0.00
  4   1   3   1.41320    2.41
  1   4   3   1.41320    1.54
  2   2   4   1.39010    2.38
  0   6   0   1.37410   10.46
  3   1   4   1.37070    0.14
  1   3   4   1.37070    4.69
  5   1   2   1.35920    7.72
  1   5   2   1.35920    2.74
  3   4   0   1.35540    1.04
  4   3   0   1.35540    1.91
  0   1   5   1.35150    0.74
  0   6   1   1.34730    0.02
  0   5   3   1.33680    3.20
  4   3   1   1.32960    8.78
  3   4   1   1.32960    0.67
  5   2   0   1.32020   63.29
  2   5   0   1.32020   23.19
  0   4   4   1.31720    0.11
  1   1   5   1.31660    5.14
  3   3   3   1.30300    2.77
  0   2   5   1.30010    3.48
  2   5   1   1.29630    0.91
  5   2   1   1.29630    0.99
  2   4   3   1.28700   10.66
  4   2   3   1.28700    1.24
  0   6   2   1.27530    5.35
  3   2   4   1.26950    2.71
  2   3   4   1.26950    5.50
  4   3   2   1.26030    1.45
  3   4   2   1.26030   11.19
  1   6   0   1.25730    1.31
  6   1   0   1.25730    1.95
  2   1   5   1.25410    1.90
  1   2   5   1.25410    0.34
  1   5   3   1.24240    3.19
  5   1   3   1.24240    6.15
  1   4   4   1.24040   20.26
  4   1   4   1.24040   25.35
  1   6   1   1.23660    9.14
  6   1   1   1.23660    0.55
  5   2   2   1.23180   15.20
  2   5   2   1.23180   49.44
  0   3   5   1.22610    2.00
  4   4   0   1.19000   12.95
  0   5   4   1.18780    0.00
  2   2   5   1.18730    0.28
  1   6   2   1.18030    8.49
  6   1   2   1.18030    0.05
  0   7   0   1.17780    3.81
  5   3   0   1.17780    0.56
  3   5   0   1.17780    0.13
  0   6   3   1.17730    0.02
  3   1   5   1.17520   10.96
  1   3   5   1.17520    0.91
  4   4   1   1.17240    9.82
  3   4   3   1.16550    0.68
  4   3   3   1.16550   15.43
  3   3   4   1.16390   11.69
  5   3   1   1.16080    1.86
  0   7   1   1.16080    3.24
  3   5   1   1.16080    0.01
  2   4   4   1.15250    2.59
  4   2   4   1.15250    3.94
  6   2   0   1.14330    3.26

#COMP: Pentacalcium tris(phosphate) hydroxide
#NAMEALT: Hydroxylapatite
#FORMULA: Ca5 P3 O13 H
#CELL_PARAMETERS: 9.4000 9.4000 6.9300 90.000 90.000 120.000
#SPACE_GROUP: P 63/m
#REF: Hendricks, S B; Jefferson, M E; Mosley, V M (1932) Z. Kristallogr. 81, 352-639
#LIST: H  K  L  dsp  Int
  0   1   0   8.14060    3.77
  0   1   1   5.27690    0.26
  1   1   0   4.70000    1.14
  0   2   0   4.07030    2.99
  1   1   1   3.88980    1.52
  0   2   1   3.50970    0.79
  0   0   2   3.46500    5.06
  0   1   2   3.18820    1.16
  1   2   0   3.07690    0.45
  2   1   0   3.07690    4.45
  2   1   1   2.81220    4.47
  1   2   1   2.81220    0.73
  1   1   2   2.78900    2.38
  0   3   0   2.71350   18.23
  0   2   2   2.63840   17.32
  0   3   1   2.52670    2.32
  2   2   0   2.35000    2.21
  2   1   2   2.30070   14.34
  1   2   2   2.30070    0.08
  1   3   0   2.25780   25.18
  3   1   0   2.25780    8.67
  2   2   1   2.22550    0.00
  0   1   3   2.22230    0.26
  1   3   1   2.14670    1.05
  3   1   1   2.14670    4.14
  0   3   2   2.13640    9.24
  1   1   3   2.07310    3.22
  0   4   0   2.03520    1.28
  0   2   3   2.00900    3.65
  0   4   1   1.95270    0.07
  2   2   2   1.94490   22.53
  1   3   2   1.89170    9.38
  3   1   2   1.89170   13.72
  3   2   0   1.86760    0.10
  2   3   0   1.86760   14.24
  2   1   3   1.84730   14.03
  1   2   3   1.84730    2.11
  3   2   1   1.80330    1.52
  2   3   1   1.80330    2.43
  1   4   0   1.77640   11.54
  4   1   0   1.77640   15.42
  0   3   3   1.75900    2.29
  0   4   2   1.75490    6.91
  0   0   4   1.73250  100.00
  1   4   1   1.72080    0.01
  4   1   1   1.72080    0.07
  0   1   4   1.69450    5.76
  2   2   3   1.64740    1.93
  3   2   2   1.64400   31.19
  2   3   2   1.64400    0.60
  0   5   0   1.62810    6.47
  1   1   4   1.62560    6.79
  1   3   3   1.61460    1.04
  3   1   3   1.61460    3.19
  0   2   4   1.59410    0.23
  0   5   1   1.58500    3.74
  4   1   2   1.58080    0.04
  1   4   2   1.58080    0.60
  3   3   0   1.56670    2.53
  2   4   0   1.53840   14.54
  4   2   0   1.53840    0.14
  3   3   1   1.52810    2.18
  0   4   3   1.52700    0.07
  1   2   4   1.50960    5.58
  2   1   4   1.50960    0.73
  2   4   1   1.50190    0.46
  4   2   1   1.50190    1.46
  0   5   2   1.47360   16.99
  5   1   0   1.46210    3.61
  1   5   0   1.46210    0.58
  0   3   4   1.46030    9.08
  3   2   3   1.45230    8.31
  2   3   3   1.45230    0.41
  5   1   1   1.43060    4.17
  1   5   1   1.43060    0.09
  3   3   2   1.42750    2.31
  4   1   3   1.40820    2.76
  1   4   3   1.40820    1.70
  2   4   2   1.40610    4.41
  4   2   2   1.40610    0.59
  2   2   4   1.39450    0.76
  3   1   4   1.37450    1.55
  1   3   4   1.37450    2.56
  0   1   5   1.36630    0.86
  0   6   0   1.35680    7.09
  1   5   2   1.34710   14.46
  5   1   2   1.34710    0.88
  4   3   0   1.33830    5.06
  3   4   0   1.33830    0.07
  0   6   1   1.33150    0.02
  0   5   3   1.33080    3.62
  1   1   5   1.32940    6.04
  0   4   4   1.31920    1.32
  4   3   1   1.31400   10.15
  3   4   1   1.31400    0.76
  0   2   5   1.31200    4.08
  2   5   0   1.30350   18.91
  5   2   0   1.30350   59.67
  3   3   3   1.29660    3.06
  5   2   1   1.28110    1.15
  2   5   1   1.28110    1.06
  2   4   3   1.28050   12.29
  4   2   3   1.28050    1.43
  2   3   4   1.27010   11.04
  3   2   4   1.27010    0.89
  2   1   5   1.26370    2.11
  1   2   5   1.26370    0.37
  0   6   2   1.26340    0.19
  3   4   2   1.24840   31.56
  4   3   2   1.24840    0.52
  1   6   0   1.24140    4.03
  6   1   0   1.24140    5.23
  1   4   4   1.24030   16.06
  4   1   4   1.24030   20.85
  5   1   3   1.23540    7.03
  1   5   3   1.23540    3.62
  0   3   5   1.23430    2.33
  6   1   1   1.22200    0.63
  1   6   1   1.22200   10.60
  5   2   2   1.22010    4.79
  2   5   2   1.22010   30.16
  2   2   5   1.19380    0.35
  0   5   4   1.18640    0.70
  3   1   5   1.18120   12.83
  1   3   5   1.18120    1.05
  4   4   0   1.17500    9.33
  0   6   3   1.16990    0.01
  1   6   2   1.16870    1.26
  6   1   2   1.16870    5.17
  5   3   0   1.16290    2.48
  0   7   0   1.16290    8.31
  3   5   0   1.16290    0.18
  3   3   4   1.16200    8.01
  4   4   1   1.15850   11.12
  3   4   3   1.15800    0.79
  4   3   3   1.15800   17.54
  0   0   6   1.15500   56.46
  4   2   4   1.15040    8.18
  2   4   4   1.15040    6.51
  3   5   1   1.14690    0.02

#COMP: Silver
#FORMULA: Ag
#CELL_PARAMETERS: 4.0855 4.0855 4.0855 90.000 90.000 90.000
#SPACE_GROUP: F m -3 m
#REF: J. Spreadborough; J. W. Christian (1959) J. Sci. Instr. 36, 116-118
#LIST: H  K  L  dsp  Int
  1   1   1   2.35880  100.00
  2   0   0   2.04270  100.00
  2   2   0   1.44440  100.00
  3   1   1   1.23180  100.00
  2   2   2   1.17940  100.00
  4   0   0   1.02140  100.00

#COMP: Zinc
#FORMULA: Zn
#CELL_PARAMETERS: 2.6617 2.6617 5.0040 90.000 90.000 120.000
#SPACE_GROUP: P 63/m m c
#REF: Lejaeghere, K.; Van Speybroeck, V.; Van Oost, G.; Cottenier, S. (2014) Critical Reviews in Solid State and Materials Sciences 39, 1
#LIST: H  K  L  dsp  Int
  0   0   2   2.50200  100.00
  1   0   0   2.30510   25.00
  1   0   1   2.09360   75.00
  1   0   2   1.69530   25.00
  1   0   3   1.35130   75.00
  1   1   0   1.33080  100.00
  0   0   4   1.25100  100.00
  1   1   2   1.17500  100.00
  2   0   0   1.15250   25.00
  2   0   1   1.12310   75.00

#COMP: Magnesium dialuminium oxide
#NAMEALT: Spinel
#FORMULA: Al2 Mg O4
#CELL_PARAMETERS: 8.0500 8.0500 8.0500 90.000 90.000 90.000
#SPACE_GROUP: F d -3 m
#REF: Passerini, L (1930) Gazzetta Chimica Italiana 60, 389-399
#LIST: H  K  L  dsp  Int
  1   1   1   4.64770    0.34
  2   2   0   2.84610   21.40
  3   1   1   2.42720   35.50
  2   2   2   2.32380   28.88
  4   0   0   2.01250    0.56
  3   3   1   1.84680    0.34
  4   2   2   1.64320   21.40
  3   3   3   1.54920   35.50
  5   1   1   1.54920   35.50
  4   4   0   1.42310  100.00
  5   3   1   1.36070    0.34
  4   4   2   1.34170    0.00
  6   2   0   1.27280   21.40
  5   3   3   1.22760   35.50
  6   2   2   1.21360   28.88
  4   4   4   1.16190    0.56
  5   5   1   1.12720    0.34

#COMP: Lead sulfide
#NAMEALT: Galena
#FORMULA: Pb S
#CELL_PARAMETERS: 5.9237 5.9237 5.9237 90.000 90.000 90.000
#SPACE_GROUP: F m -3 m
#REF: Noda, Y.; Masumoto, K.; Ohba, S.; Saito, Y.; Toriumi, K.; Iwata, Y.; Shibuya, I. (1987) Acta. Cryst. C43, 1443-1445
#LIST: H  K  L  dsp  Int
  1   1   1   3.42000   29.02
  2   0   0   2.96180  100.00
  2   2   0   2.09430   95.09
  3   1   1   1.78610   26.26
  2   2   2   1.71000   90.43
  4   0   0   1.48090   85.99
  3   3   1   1.35900   23.76
  4   2   0   1.32460   81.77
  4   2   2   1.20920   77.76
  3   3   3   1.14000   21.51

#COMP: Magnesium iron(II) silicate
#NAMEALT: Olivine
#FORMULA: Fe0.2 Mg1.8 O4 Si
#CELL_PARAMETERS: 4.7550 10.2100 5.9850 90.000 90.000 90.000
#SPACE_GROUP: P b n m
#REF: Bragg, W L; Brown, G B (1926) Z. Kristallogr. 63, 538-556
#LIST: H  K  L  dsp  Int
  0   2   0   5.10500    0.19
  1   1   0   4.31050    0.26
  0   2   1   3.88400    0.22
  1   0   1   3.72300    0.39
  1   1   1   3.49770    0.91
  1   2   0   3.47950    0.36
  1   2   1   3.00810    0.04
  0   0   2   2.99250    1.14
  1   3   0   2.76750    6.49
  0   2   2   2.58160    0.43
  0   4   0   2.55250    0.69
  1   3   1   2.51200    4.30
  1   1   2   2.45820    6.06
  2   0   0   2.37750    7.09
  0   4   1   2.34790    2.70
  2   1   0   2.31550    0.36
  1   2   2   2.26880   19.70
  1   4   0   2.24900   25.27
  2   1   1   2.15960    0.67
  2   2   0   2.15520    0.04
  1   4   1   2.10520    0.26
  1   3   2   2.03180    0.18
  2   2   1   2.02780    0.05
  2   3   0   1.94900    0.93
  0   4   2   1.94200    1.60
  1   5   0   1.87630    1.31
  2   0   2   1.86150    0.11
  0   2   3   1.85820    0.22
  2   3   1   1.85320    0.10
  1   0   3   1.83960    0.39
  2   1   2   1.83130    0.36
  1   1   3   1.81050    0.91
  1   4   2   1.79780    0.14
  1   5   1   1.79040    0.76
  2   2   2   1.74890   35.52
  2   4   0   1.73970   23.43
  1   2   3   1.73070    0.04
  0   6   0   1.70170    0.00
  2   4   1   1.67060    1.47
  0   6   1   1.63680    3.88
  2   3   2   1.63320    0.93
  1   3   3   1.61830    4.30
  1   6   0   1.60220    0.14
  1   5   2   1.58970    3.33
  0   4   3   1.57190    2.70
  3   1   0   1.56620    2.17
  2   5   0   1.54910    0.00
  1   6   1   1.54770    0.26
  3   0   1   1.53220    1.03
  3   1   1   1.51520    2.73
  3   2   0   1.51370    0.93
  2   1   3   1.51140    0.67
  2   4   2   1.50400    0.45
  2   5   1   1.49970    1.03
  0   0   4   1.49630  100.00
  1   4   3   1.49240    0.26
  0   6   2   1.47920   79.15
  3   2   1   1.46750    0.10
  2   2   3   1.46410    0.05
  3   3   0   1.43680    4.75
  0   2   4   1.43580    0.19
  1   1   4   1.41350    0.26
  1   6   2   1.41250    1.24
  3   3   1   1.39710    0.89
  1   7   0   1.39440   10.18
  2   3   3   1.39410    0.10
  3   1   2   1.38770    2.24
  2   6   0   1.38380    0.34
  2   5   2   1.37570    0.00
  1   2   4   1.37450    0.36
  1   5   3   1.36680    0.76
  1   7   1   1.35810    0.20
  3   2   2   1.35070   35.99
  2   6   1   1.34820    2.36
  3   4   0   1.34650   35.90
  1   3   4   1.31620    6.49
  3   4   1   1.31370    0.67
  2   4   3   1.31120    1.47
  3   3   2   1.29530    0.63
  0   6   3   1.29470    3.88
  0   4   4   1.29080    0.69
  0   8   0   1.27630    3.58
  2   0   4   1.26630    7.09
  1   7   2   1.26400    0.05
  2   1   4   1.25670    0.36
  2   6   2   1.25600   12.47
  3   5   0   1.25210    0.00
  1   6   3   1.24920    0.26
  0   8   1   1.24820    0.22
  1   4   4   1.24570   25.27
  2   7   0   1.24330    0.93
  3   0   3   1.24100    1.03
  1   8   0   1.23260   15.99
  3   1   3   1.23190    2.73
  2   2   4   1.22910    0.04
  3   4   2   1.22790    0.36
  3   5   1   1.22550    0.76
  2   5   3   1.22350    1.03
  2   7   1   1.21730    0.10
  1   8   1   1.20730    0.04
  3   2   3   1.20590    0.10
  4   0   0   1.18880   65.15
  2   3   4   1.18680    0.93
  4   1   0   1.18080    0.14
  0   8   2   1.17390    1.13
  1   5   4   1.16980    1.31
  3   3   3   1.16590    0.89
  0   2   5   1.16540    0.22
  1   0   5   1.16080    0.39
  3   6   0   1.15980    0.36
  4   1   1   1.15840    0.26
  4   2   0   1.15780    0.03
  3   5   2   1.15510    9.10
  1   1   5   1.15340    0.91
  2   7   2   1.14810    0.93

#COMP: Calcium sulfate dihydrate
#NAMEALT: Gypsum
#FORMULA: Ca S O6 2(H2O)
#CELL_PARAMETERS: 6.2840 15.2000 6.5230 90.000 127.410 90.000
#SPACE_GROUP: C 2/c
#REF: Boeyens J.C.A.; Ichharam V.V.H. (2002) Z. Kristallogr. 217 9-10
#LIST: H  K  L  dsp  Int
  0   2   0   7.60000   77.51
  1   1   0   4.74230    1.41
  0   2   1   4.28110  100.00
  0   4   0   3.80000   10.56
 -1   3   1   3.79700    2.59
 -1   1   2   3.17020    4.09
  0   4   1   3.06420   71.18
 -2   2   1   2.87300   47.99
 -2   0   2   2.86740    3.09
  1   1   1   2.78750    9.31
 -1   3   2   2.73050    1.09
 -2   2   2   2.68280   35.89
  1   5   0   2.59640    3.75
  0   0   2   2.59060    2.12
  2   0   0   2.49570   11.05
  1   3   1   2.47440    1.15
  0   2   2   2.45210    6.87
 -2   4   1   2.40360    3.76
 -1   5   2   2.21740   13.18
  0   4   2   2.14050    1.79
  2   4   0   2.08600   15.19
 -2   2   3   2.07960    4.40
  1   5   1   2.07360    6.20
 -3   1   2   2.07310    5.57
 -1   1   3   2.04650    4.65
  1   7   0   1.99120    3.03
 -3   1   1   1.95410    2.91
  0   8   0   1.90000    1.15
 -2   6   2   1.89850   13.69
 -2   4   3   1.87920   12.46
  1   1   2   1.86520    2.77
  0   6   2   1.81130   12.68
  2   2   1   1.79870    5.59
 -3   3   3   1.78850    1.18
  0   8   1   1.78380    2.03
  2   6   0   1.77790    9.81
 -1   5   3   1.70830    1.03
  0   2   3   1.68420    2.17
  2   4   1   1.66430    6.19
 -2   6   3   1.64460    3.30
 -2   0   4   1.62070    5.42
 -2   8   1   1.62040    2.97
 -1   9   1   1.62010    1.92
 -2   2   4   1.58510    1.42
 -2   8   2   1.58380    1.69
  3   3   0   1.58080    1.03
  0   8   2   1.53210    2.24
 -3   3   4   1.52070    1.32
  2   8   0   1.51180    1.19
 -4   4   3   1.43900    3.88
 -4   0   4   1.43370    1.95
  2   0   2   1.41780    2.72
 -4   2   1   1.40190    2.12
 -2   6   4   1.36520    1.07
 -2  10   1   1.36510    4.60
 -4   4   4   1.34140    1.02
 -4   4   1   1.33540    1.64
  2   8   1   1.32600    1.68
 -4   6   2   1.32320    2.55
  0   8   3   1.27800    2.18
  4   0   0   1.24790    1.33
 -4   6   4   1.24770    1.57
 -2  10   3   1.24350    1.50
 -2   8   4   1.23310    1.37
  4   2   0   1.23140    1.76
 -4  -8   3   1.20330    1.03
 -4  -8   2   1.20180    1.09
 -2  12   2   1.15870    1.42
  0   6   4   1.15330    2.05
  0  10   3   1.14100    4.03
  0  12   2   1.13790    1.30
  4   6   0   1.11940    1.09

#COMP: Kaolinite
#NAMEALT: clay
#FORMULA: Al2 Si2 O5 (OH)4
#CELL_PARAMETERS: 5.1554 8.9448 7.4048 91.700 104.862 89.822
#SPACE_GROUP: C 1
#REF: Bish D L, Von Dreele R B (1989) Clays and Clay Minerals 37, 289-296
#LIST: H  K  L  dsp  Int
  0   0   1   7.15390  100.00
  0   2   0   4.47040   17.31
 -1   1   0   4.36120   51.82
 -1  -1   1   4.18090   49.65
 -1   1   1   4.12890   24.08
  0  -2   1   3.84300   35.09
  0   2   1   3.74120   14.73
  0   0   2   3.57690   61.53
  1  -1   1   3.41850    1.57
  1   1   1   3.37370   19.41
 -1  -1   2   3.15440    4.39
 -1   1   2   3.10360    4.77
  0   2   2   2.75310    7.19
 -2   0   1   2.56620    6.57
 -1   3   0   2.56300    7.47
  1   3   0   2.55250    7.23
 -1  -3   1   2.53320    9.17
  1  -1   2   2.51860    4.54
 -1   3   1   2.49860    9.93
  2   0   0   2.49140    9.91
  1   1   2   2.48600    2.44
  0   0   3   2.38460    6.94
 -2   0   2   2.34600   21.23
 -1  -1   3   2.33840    1.94
  1  -3   1   2.33530   19.84
 -1   1   3   2.30600    2.62
  1   3   1   2.29280   25.44
 -1  -3   2   2.25150    2.84
 -1   3   2   2.19680    2.60
  2   0   1   2.18520    2.27
  0  -2   3   2.13060    2.15
 -2   2   2   2.06450    1.24
 -2   0   3   1.99760    8.00
  1  -3   2   1.98590    7.58
  2   2   1   1.95300    2.76
  1   3   2   1.93880    5.50
  0  -4   2   1.92150    2.79
 -1  -3   3   1.89740    2.91
  0   4   2   1.87060    2.55
 -1   3   3   1.84640    2.87
 -2  -2   3   1.83840    3.73
  2   0   2   1.83550    2.22
  0   0   4   1.78850    3.22
  2  -2   2   1.70920    3.08
 -2  -4   1   1.69040    1.82
  1   5   0   1.68060    1.95
 -2   0   4   1.66990    8.11
 -2   4   0   1.66760    3.43
  1  -3   3   1.66010    8.25
  2   4   0   1.65990    1.20
 -3  -1   2   1.65400    1.94
 -3   1   2   1.64840    3.15
 -3   1   0   1.63440    1.12
  1   3   3   1.62020    7.69
  1  -5   1   1.61960    2.97
 -2   4   2   1.60610    1.11
 -1  -3   4   1.58640    4.23
 -2   2   4   1.55180    3.10
 -1   3   4   1.54580    2.82
 -3  -1   3   1.54460    1.46
  2   0   3   1.53700    3.30
  0   6   0   1.49010    7.27
 -3  -3   1   1.48990    7.49
 -3   3   1   1.48680    7.28
 -3  -3   2   1.46940    1.13
  2  -2   3   1.46350    1.32
  1   5   2   1.45810    1.36
 -3   3   2   1.45770    1.52
  0   6   1   1.45020    1.48
  3   3   0   1.44800    1.19
  2   2   3   1.44370    2.89
  0   0   5   1.43080    1.41
  0  -4   4   1.41730    1.46
  2   4   2   1.40560    1.05
 -3  -3   3   1.39360    1.35
  0  -6   2   1.39040    1.47
  0   4   4   1.37660    2.52
  3  -3   1   1.36960    1.15
 -2  -2   5   1.35180    1.73
 -1  -3   5   1.34110    6.87
 -1   3   5   1.30990    5.99
  2   0   4   1.30310    5.60
 -2  -6   1   1.29190    2.11
 -2   6   1   1.28530    1.74
 -4   0   1   1.28420    2.21
 -2  -6   2   1.26660    2.37
 -2   6   2   1.24930    3.11
  4   0   0   1.24570    2.61
 -4   0   3   1.24270    1.16
  2  -6   1   1.23880    1.18
 -1   7   0   1.23860    1.15
 -1  -7   1   1.23720    1.86
 -4  -2   1   1.23450    1.13
 -3  -5   2   1.23010    1.36
  2   6   1   1.22360    1.18
 -3   5   2   1.21880    1.00
 -4   2   0   1.20140    1.21
  0   0   6   1.19230    1.20
 -2  -6   4   1.12580    2.08
 -2   6   4   1.09840    1.61
  4   0   2   1.09260    1.62

#COMP: Illite
#FORMULA: (Al,Mg,Fe)2 (Si,Al)4 O10 [(OH)2,(H2O)]
#CELL_PARAMETERS: 5.2226 9.0183 20.1430 90.000 95.665 90.000
#SPACE_GROUP: C 2/c
#REF: Gualtieri A F (2000) J. Appl. Cryst. 33, 267-278
#LIST: H  K  L  dsp  Int
  0   0   2  10.02230   57.21
  0   0   4   5.01120   35.02
  0   2   0   4.50920    6.65
  1   1   0   4.50290   26.97
 -1   1   1   4.47600  100.00
  0   2   1   4.39920   23.41
  1   1   1   4.31520   10.88
 -1   1   2   4.24540    3.06
  0   2   2   4.11210   13.24
  1   1   2   3.98200   13.53
 -1   1   3   3.89150   31.08
  0   2   3   3.73760   38.42
  1   1   3   3.59430   10.25
 -1   1   4   3.50150   65.45
  0   2   4   3.35190   49.14
  0   0   6   3.34080   53.87
  1   1   4   3.21540   71.43
 -1   1   5   3.13010   33.96
  0   2   5   2.99600   54.28
  1   1   5   2.87460   33.04
 -1   1   6   2.80000   24.83
  1   3   0   2.60220    3.24
  2   0   0   2.59850   14.99
 -1   3   1   2.59690   38.95
  1   1   6   2.57950   11.52
 -2   0   2   2.57800   48.16
  1   3   1   2.56440   57.37
 -1   1   7   2.51570    5.66
  0   0   8   2.50560    8.83
 -1   3   3   2.46630   10.43
  2   0   2   2.45710    8.98
  0   2   7   2.41730    5.15
 -2   0   4   2.40590   24.26
  1   3   3   2.38520   30.65
 -1   3   4   2.35750    3.03
  1   1   7   2.32780    1.70
 -2   2   1   2.25890    6.92
  0   4   0   2.25460    5.30
  0   4   1   2.24040    3.49
 -1   3   5   2.23370    3.91
  2   0   4   2.21910    3.11
  2   2   1   2.21640    2.12
  0   4   2   2.19960    1.20
 -2   2   3   2.19100   12.63
  0   2   8   2.19020    2.27
  2   2   2   2.15760    6.35
 -2   0   6   2.15690    7.68
  0   4   3   2.13620    1.38
  1   3   5   2.13500   24.23
  1   1   8   2.11400    2.29
  2   2   3   2.08040    7.88
 -1   1   9   2.06790    1.02
  0   4   4   2.05610    4.94
  0   0  10   2.00450   26.10
 -1   3   7   1.97500   13.54
  0   4   5   1.96510    1.93
  2   0   6   1.95950    5.27
 -2   2   6   1.94570    4.86
  2   2   5   1.89510    1.04
 -1   1  10   1.89230    3.21
  1   3   7   1.88010    2.45
  0   4   6   1.86880    4.80
 -1   3   8   1.85120    1.15
 -2   2   8   1.75080    2.76
 -1   3   9   1.73490    4.30
  2   0   8   1.72080    7.16
  1   5   0   1.70400    5.85
  2   4   0   1.70290    1.72
  3   1   0   1.70130    2.78
  1   5   1   1.69320    2.36
 -3   1   3   1.68830    7.27
  2   4   1   1.68760    2.28
  3   1   1   1.68150    1.74
 -2   4   3   1.67630    1.74
  1   5   2   1.67090    1.39
 -2   0  10   1.66880   15.84
  2   4   2   1.66120    1.37
 -3   1   4   1.66070    1.44
 -2   2   9   1.65570    1.96
  1   3   9   1.65220   23.47
  3   1   2   1.65110    1.73
 -2   4   4   1.64510    1.50
 -1   5   4   1.62940    9.41
  2   4   3   1.62520    2.75
 -3   1   5   1.62370    4.26
  3   1   3   1.61170    5.25
 -1   1  12   1.61170    2.13
 -2   4   5   1.60520    1.08
  1   5   4   1.59760    3.40
 -3   1   6   1.57920    3.94
  3   1   4   1.56540    6.41
 -2   2  10   1.56510    1.60
 -2   4   6   1.55850    4.56
 -1   5   6   1.53820    2.22
 -1   3  11   1.52860    7.92
  2   0  10   1.51640    5.86
 -3   3   1   1.50640   25.31
  0   6   0   1.50300   14.14
  0   6   1   1.49880    1.32
  1   5   6   1.49840    1.54
 -3   3   3   1.49200    1.87
  3   3   1   1.48730    1.21
  0   6   2   1.48640    2.21
 -2   2  11   1.47970    1.92
  2   4   6   1.47900    1.20
  1   3  11   1.45910    1.80
  0   2  13   1.45900    2.76
  1   5   7   1.44390    1.47
  2   2  10   1.43730    1.47
  0   0  14   1.43180    2.75
  1   1  13   1.42190    2.62
  3   3   5   1.36780    1.22
  2   2  11   1.36070    2.11
 -1   3  13   1.35620   11.46
  2   0  12   1.34600    7.97
  0   4  12   1.34220    2.31
  1   1  14   1.33190    3.58
 -2   2  13   1.32610    3.06
 -1   5  10   1.31950    2.49
 -1   1  15   1.31210    3.34
 -2   0  14   1.30980    1.07
 -4   0   2   1.30500    2.50
 -2   6   1   1.30250    2.25
  2   6   0   1.30110    3.95
  4   0   0   1.29930    2.43
  1   3  13   1.29870    1.45
 -2   6   2   1.29850    7.22
 -3   3   9   1.29720    4.93
  0   6   8   1.28890    3.98
  3   3   7   1.28500    2.11
 -2   6   4   1.27470    4.58
  0   4  13   1.27270    2.13
  4   0   2   1.27260    2.35
 -2   2  14   1.25790    1.06
 -2   6   5   1.25590    1.49
 -4   2   1   1.25350    1.11
 -4   0   6   1.25340    2.33
 -1   7   1   1.24990    2.58
  2   6   4   1.24450    3.14
 -3   5   3   1.24420    1.27
  3   5   2   1.22910    1.64
 -4   2   5   1.22550    1.22
  1   7   3   1.22390    1.07
  0   6  10   1.20250    1.87
 -3   5   6   1.19860    1.08
  3   3   9   1.19810    1.20
  3   5   4   1.19250    1.71
  3   1  11   1.18740    1.36
  1   7   5   1.18580    2.02
  3   1  12   1.13800    1.78
 -4   4   3   1.12600    1.14
 -2   6  10   1.11680    5.07
  4   0   8   1.10950    2.78

#COMP: Anorthite
#NAMEALT feldspar
#FORMULA: Ca Al2 Si2 O8
#CELL_PARAMETERS: 8.1750 12.8730 14.1700 93.110 115.890 91.280
#SPACE_GROUP: I -1
#REF: Angel R J (1988) Am. Mineral. 73, 1114-1119
#LIST: H  K  L  dsp  Int
 -1   1   0   6.52080    7.70
  0   2   0   6.41860   71.39
  0   0   2   6.35770   31.90
  1   1   0   6.23880    1.75
 -1  -1   2   5.78300    7.35
 -1   1   2   5.65990   20.91
 -1  -2   1   4.99800    1.79
  0  -2   2   4.68680   53.60
  0   2   2   4.36430    8.59
  0  -3   1   4.14570    1.06
 -2   0   2   4.03840   13.50
 -1   3   0   3.78260   19.90
  2   0   0   3.67240   17.75
  1   3   0   3.61760   45.66
 -1  -3   2   3.60060   17.99
 -1   3   2   3.51200   19.32
 -1  -1   4   3.45870   36.17
 -2   2   2   3.43550   13.34
 -2  -2   2   3.40110   24.15
 -1   1   4   3.36350   62.27
 -2   2   0   3.26040  100.00
  0   4   0   3.20930   15.42
 -2   0   4   3.19500   91.16
  0   0   4   3.17890   73.30
  2   2   0   3.11940   75.39
  1  -3   2   3.04030   30.20
  0  -4   2   2.95070   47.68
  0  -2   4   2.93290   20.12
 -2  -2   4   2.89150    3.26
  1   3   2   2.82650   48.65
 -1  -3   4   2.80240   18.13
  0   4   2   2.78630    1.83
  2   0   2   2.70710    3.03
 -3   1   2   2.67490    5.19
 -1   3   4   2.65610   35.31
 -3  -1   2   2.64630    1.84
  2  -2   2   2.55740   11.10
  1  -1   4   2.52730   17.07
 -2   4   2   2.52630   28.85
 -3  -1   4   2.50850   10.93
 -3   1   4   2.50490    8.82
 -2  -4   2   2.49900   45.40
  1   1   4   2.45660    6.29
  2   2   2   2.43560    6.84
 -3   1   0   2.42790    5.18
 -1  -5   2   2.40490    3.94
  1   5   0   2.38580    3.43
  3   1   0   2.38260    5.93
 -1   5   2   2.36040   11.39
 -3   3   2   2.32320   13.55
 -1  -1   6   2.31400    3.53
 -2  -4   4   2.29540    1.37
 -3  -3   2   2.26820    4.62
 -1   1   6   2.26430    8.49
  1  -5   2   2.23820    5.31
 -2   4   4   2.23430    3.24
 -3   3   4   2.19070    6.86
 -3   3   0   2.17360    1.64
 -2   2   6   2.15930    6.47
  2  -4   2   2.14240   22.13
  0   6   0   2.13950   13.10
  1   3   4   2.11570    4.81
  1   5   2   2.09460   21.22
  0  -6   2   2.07290    1.20
 -1   5   4   2.02600    7.56
 -4   0   4   2.01920    4.01
 -4   0   2   2.01540   10.16
  2   0   4   2.00700    1.06
  3  -1   2   2.00400    6.80
 -1   3   6   1.99250    5.33
  0   6   2   1.98550    4.33
  3   1   2   1.96490    7.82
  2  -2   4   1.95670    1.93
 -4   2   2   1.94160    3.08
 -4   2   4   1.93230   10.29
 -3  -3   6   1.92770    2.46
 -4  -2   4   1.92000    5.59
 -4  -2   2   1.90460    5.56
 -3   5   2   1.89210    4.97
 -3   3   6   1.88660    1.30
 -2  -6   2   1.88190    3.33
  2   2   4   1.87700    9.28
  3  -3   2   1.86490    4.11
 -2   4   6   1.84610    5.12
 -4   0   6   1.84480    9.88
  0  -6   4   1.83650    1.42
  4   0   0   1.83620   23.05
  1  -1   6   1.83400    4.98
  0  -4   6   1.82930    1.97
  2   6   0   1.80880    1.89
 -3   5   4   1.80800    5.41
 -1   7   0   1.80110    4.13
 -2  -6   4   1.80030    4.60
  1   1   6   1.79620   11.53
 -1  -7   2   1.77550    1.35
  3   3   2   1.77460    5.51
 -2   0   8   1.76860   24.24
 -4   2   6   1.76820    1.65
  2  -4   4   1.76040    6.57
 -1   7   2   1.75030    5.53
  1   5   4   1.74170    5.58
  2  -6   2   1.73710    3.81
 -4   4   2   1.73330    7.07
 -2  -2   8   1.72940    1.76
  0   6   4   1.71920    5.22
 -4   4   4   1.71770    2.82
  0   4   6   1.71330    5.92
 -4  -4   4   1.70060    2.95
 -2   2   8   1.68170    7.42
 -4  -4   2   1.68150    3.63
 -3  -5   6   1.66140    1.48
  3  -5   2   1.63380    2.06
 -5   1   4   1.62510    1.49
 -3  -3   8   1.62070    1.77
 -3   5   6   1.61800    6.12
 -4  -4   6   1.60670    1.51
  0   8   0   1.60460    3.26
  3   1   4   1.59860    1.72
 -1   7   4   1.59300    1.54
  4   0   2   1.58820    2.19
 -5   1   2   1.58790    2.21
  0  -2   8   1.56910    2.65
  4  -2   2   1.56450    1.03
 -4  -2   8   1.56010    1.62
  3  -3   4   1.55630    3.69
  2  -2   6   1.54490    2.14
  1  -7   4   1.54230    1.58
 -4   2   8   1.54050    3.48
 -3   7   2   1.53950    1.15
 -5   3   4   1.53700    3.30
  3   5   2   1.53460    5.91
  2  -6   4   1.52020    2.04
  0   2   8   1.51780    2.73
 -5  -3   4   1.51620    1.85
 -2   8   0   1.49890    6.30
  2   2   6   1.49300    2.19
 -4   6   2   1.49230    6.85
 -3   7   4   1.48740    2.63
 -2  -8   2   1.48560    3.33
  3   3   4   1.48520    3.49
 -5   3   6   1.47720    4.60
 -4   6   4   1.47670    4.36
  0  -8   4   1.47530    1.50
 -5  -3   6   1.47520    3.85
 -5  -3   2   1.47460    1.07
  0   6   6   1.45480   10.40
  2  -4   6   1.44790    3.25
  2   8   0   1.44350    2.83
  3   7   0   1.43300    2.15
 -5  -1   8   1.43140    1.21
 -4   6   0   1.43010    3.49
 -5   1   8   1.42690    2.14
  2   6   4   1.41330    1.49
  1   1   8   1.40910    1.26
 -4   6   6   1.39000    5.14
  4   4   2   1.38950    2.23
  1   9   0   1.38700    4.29
  1  -3   8   1.38680    5.72
  0   4   8   1.38560    1.29
  1  -9   2   1.37610    3.54
 -5  -3   8   1.36910    2.90
  5   3   0   1.36800    2.36
  2   4   6   1.36560    5.08
 -4   0  10   1.36160    2.53
 -6   0   4   1.35980    8.08
  4   6   0   1.35940    2.55
  4   0   4   1.35350    6.81
 -1  -9   4   1.34860    3.92
  4  -2   4   1.34300    1.01
 -4  -2  10   1.34240    1.39
 -5   5   6   1.34230    3.38
  2   8   2   1.34090    1.28
 -1   1  10   1.34010    1.96
  3   5   4   1.33160    1.26
 -5  -5   2   1.33110    1.05
  0  -8   6   1.32550    1.48
  0  -6   8   1.32170    1.16
  3   1   6   1.32090    1.82
 -6   2   6   1.32040    1.21
 -1  -3  10   1.31900    1.81
  3   7   2   1.31270    1.63
  5  -1   2   1.31200    1.23
  2  -8   4   1.30040    1.85
 -1   9   4   1.29850    2.53
 -6   2   2   1.29740    1.79
 -4  -6   8   1.29690    1.18
  5   1   2   1.29600    1.26
 -2   8   6   1.29430    2.07
 -6   0   8   1.27800    1.19
 -3   9   2   1.27710    3.13
  2   0   8   1.26970    2.39
 -1   3  10   1.26940    1.07
 -6   4   4   1.26410    1.22
 -4   8   4   1.26310    1.65
 -4  -8   4   1.24950    2.94
 -3  -9   4   1.24750    1.11
 -4   4  10   1.23660    2.69
 -6  -4   6   1.23650    2.27
 -6   4   2   1.23340    2.17
  5   3   2   1.23260    1.35
 -5   7   2   1.22560    1.74
  6   0   0   1.22410    1.58
 -6   2   0   1.21400    2.47
  2   8   4   1.21100    5.00
 -3   5  10   1.21040    2.32
  6   2   0   1.19130    1.91
 -3   9   6   1.17070    1.42
  1  -7   8   1.17010    1.48
 -4  -6  10   1.16910    1.44
 -1   5  10   1.16800    2.12
  4  -8   2   1.16550    1.29
 -6   4   0   1.16380    4.53
  0  10   4   1.16200    1.36
 -2   8   8   1.15740    2.04
  0   4  10   1.15430    1.05
  3   5   6   1.15260    1.75
 -2   6  10   1.14520    2.71
 -1  -9   8   1.13390    1.54
 -1 -11   4   1.12670    1.41
  6   4   0   1.12470    2.49
 -4   8   8   1.11720    2.04
 -3   7  10   1.09170    1.35
 -2  -8  10   1.09060    1.39

#COMP: Lead Feldspar 
#FORMULA: Pb Al2 Si2 O8
#CELL_PARAMETERS: 8.3950 13.0810 14.3430 90.000 115.270 90.000
#SPACE_GROUP: I 2/c
#REF: Tribaudino M, Benna P, Bruno E (1998) Am. Mineral. 83, 159-166
#LIST: H  K  L  dsp  Int
  1   1   0   6.56600    1.15
  0   2   0   6.54050   97.06
  0   0   2   6.48520   29.36
 -1   1   2   5.80940   78.99
 -1   2   1   5.12980    3.90
  0   2   2   4.60520   40.08
 -2   0   2   4.13450    2.59
  0   3   1   4.13300    1.30
  1   1   2   3.94320   23.77
  2   0   0   3.79580   32.11
  1   3   0   3.78100   18.88
 -1   3   2   3.61830   42.48
 -2   2   2   3.49480   42.32
 -1   1   4   3.45820   88.42
  2   2   0   3.28300  100.00
  0   4   0   3.27030    2.76
  0   0   4   3.24260   25.46
 -2   0   4   3.24190   11.92
  0   3   3   3.07010    1.39
 -1   4   1   3.04110    2.63
  1   3   2   3.00060   60.33
  0   4   2   2.92000   25.01
 -2   2   4   2.90470    1.48
  1   4   1   2.82310    1.52
  2   0   2   2.79660    1.62
 -1   3   4   2.76950   48.66
 -3   1   2   2.73430    8.31
  2   2   2   2.57140    6.50
 -2   4   2   2.56490   36.97
  1   1   4   2.55670   27.25
 -3   1   4   2.55600   29.35
  3   1   0   2.48450    7.47
  2   4   0   2.47760    9.51
 -1   5   2   2.42610   17.06
 -2   0   6   2.36130    6.09
 -3   3   2   2.35370   11.05
 -1   1   6   2.32390    6.76
  0   5   3   2.23830    1.88
  1   3   4   2.23750   11.84
 -3   3   4   2.23710   16.41
 -2   2   6   2.22100   13.26
  1   5   2   2.21090   18.68
  3   3   0   2.18870    1.14
  0   6   0   2.18020   15.54
  0   0   6   2.16170    3.61
 -2   5   3   2.14680    1.04
 -3   1   6   2.13240    4.42
  2   4   2   2.12540    6.66
 -1   5   4   2.11350   11.92
 -1   6   1   2.10810    1.44
 -1   3   6   2.07650    3.46
 -4   0   2   2.07600    7.91
  2   0   4   2.06780    2.98
 -4   0   4   2.06730    1.64
  0   6   2   2.06650    7.06
  0   2   6   2.05250    8.75
  3   1   2   2.05060   14.73
  1   6   1   2.03130    1.50
 -4   2   2   1.97870    9.40
  2   2   4   1.97160    8.49
 -4   2   4   1.97120    4.42
 -3   3   6   1.93650    6.04
 -2   6   2   1.92850    6.08
 -2   4   6   1.91440    4.99
 -3   5   2   1.91030    4.00
  4   0   0   1.89790    9.79
  2   6   0   1.89050    2.34
 -4   0   6   1.87810    6.43
  3   3   2   1.87460   10.71
  1   1   6   1.85950    3.21
  1   5   4   1.84670    7.79
 -3   5   4   1.84640    9.29
  4   2   0   1.82270    2.57
  3   5   0   1.81890    1.57
  0   6   4   1.80930    3.36
 -4   2   6   1.80510    2.66
  0   4   6   1.80340   12.32
 -1   7   2   1.79560    2.83
 -2   0   8   1.79290   14.94
 -4   4   2   1.75270   10.29
 -1   1   8   1.72970    1.35
 -2   2   8   1.72910    5.29
  2   6   2   1.71940    1.06
  0   7   3   1.71530    1.40
  1   7   2   1.70290    2.02
 -2   7   3   1.67310    1.12
 -3   5   6   1.66620    5.85
  3   1   4   1.66400    3.68
 -5   1   4   1.66360    4.83
 -1   7   4   1.65720    5.70
  4   4   0   1.64150    2.70
  0   8   0   1.63510    4.46
 -5   1   2   1.62930    1.07
 -4   4   6   1.62860    1.12
  3   5   2   1.62640    8.60
  0   0   8   1.62130    1.21
 -4   0   8   1.62100    2.11
 -1   3   8   1.62010    1.87
  2   0   6   1.60660    1.15
 -1   8   1   1.60410    1.32
 -2   6   6   1.60180    2.50
 -5   1   6   1.59420    2.66
  0   2   8   1.57370    6.84
 -4   2   8   1.57340    8.17
 -2   4   8   1.57210    1.89
  3   3   4   1.56570    3.48
 -5   3   4   1.56540    4.77
  2   2   6   1.56020    5.86
  0   6   6   1.53510    4.95
  1   7   4   1.51880    3.55
 -3   7   4   1.51870    3.61
  5   1   0   1.50820    1.02
 -5   3   6   1.50710    6.62
 -4   6   2   1.50340    6.11
  2   8   0   1.50170   10.58
 -1   7   6   1.46540    1.33
  1   1   8   1.45400    3.35
  0   4   8   1.45260    1.77
 -4   4   8   1.45230    2.48
  2   4   6   1.44200    7.63
  5   3   0   1.43390    2.32
  4   6   0   1.43150    4.37
 -4   6   6   1.42290    2.03
 -3   1  10   1.41950    1.81
  3   5   4   1.41220    1.01
 -5   5   4   1.41200    1.56
  4   0   4   1.39830    3.39
 -6   0   4   1.39800    2.60
  3   7   2   1.38900    2.57
 -2   6   8   1.38480    4.32
 -5   5   6   1.36880    3.42
 -3   3  10   1.35700    1.74
 -4   2  10   1.35010    1.48
  5   1   2   1.34830    2.60
 -1   9   4   1.34700    4.99
 -2   8   6   1.34430    2.13
 -6   2   2   1.32720    3.30
 -1   3  10   1.31570    4.59
 -2   4  10   1.30870    1.07
  0  10   0   1.30810    1.65
  2   0   8   1.30350    1.57
 -6   0   8   1.30310    2.03
  5   3   2   1.29440    2.69
  2   6   6   1.29330    2.37
  2   8   4   1.28260    3.81
 -4   8   4   1.28250    2.75
 -6   2   8   1.27800    1.02
 -4   4  10   1.27130    2.39
 -3   9   4   1.26940    1.09
 -3   5  10   1.25340    2.77
 -6   4   2   1.25210    2.52
 -5   7   4   1.24820    1.17
 -5   3  10   1.24300    2.45
  6   2   0   1.24220    1.93
  2  10   0   1.23670    1.08
 -1   5  10   1.22060    1.84
 -6   4   8   1.21060    1.03
 -2   8   8   1.20810    1.68
  5   5   2   1.20350    1.43
  1   1  10   1.19160    1.98
  6   4   0   1.18000    2.24
  4   6   4   1.17700    1.06
  4   2   6   1.17600    1.44
  3   1   8   1.15430    1.05
  0   8   8   1.15130    2.20
 -4   8   8   1.15120    2.64
 -6   4  10   1.12340    1.09
  4   4   6   1.12280    2.18
  2   6   8   1.11880    1.01
 -6   6   8   1.11850    1.62
  3   9   4   1.09850    1.00
  5   7   2   1.09720    1.04

#COMP: Triplite
#FORMULA: (Mn,Fe)2 P O4 (F,OH)
#CELL_PARAMETERS: 12.0650 6.4540 9.9370 90.000 107.093 90.000
#SPACE_GROUP: I 2/a
#REF: Waldrop L (1969) Z. Kristallogr. 130, 1-14
#LIST: H  K  L  dsp  Int
  0   1   1   5.33820    5.25
 -2   0   2   4.34580    1.11
 -2   1   1   4.28600    9.78
  2   1   1   3.62970   33.18
  1   1   2   3.39810   36.44
  3   1   0   3.30260    1.10
  2   0   2   3.22940   67.47
  0   2   0   3.22700    2.18
 -1   2   1   3.02520   92.38
  4   0   0   2.88300    4.85
 -2   1   3   2.86710    1.55
 -4   0   2   2.86630  100.00
  0   1   3   2.84240   48.01
  2   2   0   2.81600   15.44
 -4   1   1   2.73240   18.86
  0   2   2   2.66910    8.99
 -2   2   2   2.59080   20.86
 -3   2   1   2.51030   17.14
 -2   0   4   2.46560   12.20
  4   1   1   2.37780    4.22
 -4   1   3   2.35910    1.75
  2   1   3   2.31840    3.96
 -1   1   4   2.30990    6.12
  2   2   2   2.28270    6.03
 -5   1   2   2.22130   10.26
 -3   1   4   2.21060    3.40
  4   0   2   2.19480    3.75
 -4   0   4   2.17290    2.18
 -4   2   2   2.14300    7.72
  1   2   3   2.13490   13.49
  1   3   0   2.11480    1.62
  0   3   1   2.09820   19.91
  1   1   4   2.08360    2.71
 -2   3   1   2.01420    4.17
  2   0   4   1.99850   19.60
 -6   0   2   1.99750    3.15
 -1   3   2   1.97180    2.70
 -2   2   4   1.95920    6.30
  2   3   1   1.93180    7.23
  6   0   0   1.92200    4.32
  0   2   4   1.91250    1.89
 -6   1   1   1.91180   16.28
 -2   1   5   1.89820    2.21
  3   3   0   1.87730    2.89
 -6   1   3   1.83230    5.52
  0   1   5   1.82230    8.28
 -5   2   3   1.81590   10.66
 -4   2   4   1.80240    9.88
  3   2   3   1.79090    1.16
 -2   3   3   1.78540    3.62
 -4   1   5   1.78430    8.15
  0   3   3   1.77940    1.61
  5   2   1   1.76240    7.05
 -4   3   1   1.75140   11.58
  3   1   4   1.73180    9.89
  2   2   4   1.69910    2.69
 -6   2   2   1.69840    1.76
  3   3   2   1.66600    1.66
 -3   2   5   1.66590    3.74
 -2   0   6   1.65580    2.62
  6   2   0   1.65130    2.55
  4   3   1   1.64640    2.55
 -4   3   3   1.64010    1.36
  2   3   3   1.62630   19.30
  6   0   2   1.62340   12.64
  2   1   5   1.61190    9.91
 -4   0   6   1.60010    1.08
  7   1   0   1.59630    4.44
 -3   3   4   1.58770    5.41
 -1   4   1   1.58640    3.28
  1   2   5   1.56650    1.57
 -6   1   5   1.56020    3.79
  2   4   0   1.55380    7.42
 -6   2   4   1.55180    2.23
 -5   2   5   1.53040    4.69
  0   4   2   1.52770    4.75
 -2   4   2   1.51260    7.25
 -7   2   1   1.51100    3.79
 -8   0   2   1.50800    2.73
 -5   1   6   1.49060    3.76
 -7   2   3   1.48820    4.62
  1   1   6   1.47000    3.15
  5   2   3   1.46760    1.69
 -2   3   5   1.45930    8.17
 -5   3   4   1.45240    1.22
 -1   4   3   1.45050    1.20
  6   2   2   1.45020    1.46
 -8   1   3   1.44910    5.05
 -6   0   6   1.44860    5.56
  3   4   1   1.44490    4.73
  4   2   4   1.44400    6.11
  8   0   0   1.44150    3.71
 -4   2   6   1.43360    3.38
 -8   0   4   1.43320    2.94
 -6   3   3   1.42870    2.59
  0   3   5   1.42390    5.43
  5   1   4   1.41890    1.36
  4   3   3   1.41340    4.42
 -4   4   2   1.40600    1.20
 -4   3   5   1.40560    2.84
  7   1   2   1.39760    2.45
 -2   1   7   1.38400    5.19
  4   1   5   1.37520    1.50
  6   3   1   1.37350    4.73
 -8   2   2   1.36620    1.62
 -4   1   7   1.36440    1.47
 -7   1   6   1.32910    3.16
 -8   1   5   1.32720    1.21
 -6   2   6   1.32160    1.90
  6   0   4   1.31660    1.33
  2   3   5   1.31660    4.56
  2   2   6   1.30240    1.53
 -5   4   3   1.30040    3.47
 -4   4   4   1.29540    3.43
  6   4   0   1.23580    5.87
 -9   2   1   1.22360    3.53
 -3   1   8   1.21960    2.34
  6   3   3   1.20990    2.78
  5   3   4   1.20500    1.38
 -6   4   4   1.19240    1.47
 -5   1   8   1.18950    1.78
  8   2   2   1.18890    1.71
 -4   5   1   1.18670    1.44
 -7   4   1   1.17360    1.61
 -4   3   7   1.17100    3.51
  8   1   3   1.16740    3.18
  4   4   4   1.14130    2.50
  9   1   2   1.13660    1.56
  0   4   6   1.13000    1.46
-10  -2   2   1.12870    1.12
 -6   3   7   1.11490    1.38
  2   0   8   1.10070    1.93

#COMP: Anthophyllite
#NAMEALT: Amphibole
#FORMULA: (Mg,Fe)7 Si8 O22 (OH)2
#CELL_PARAMETERS: 18.5440 18.0260 5.2820 90.000 90.000 90.000
#SPACE_GROUP: P n m a
#REF: Walitzi E M, Walter F, Ettinger K (1989) Z. Kristallogr. 188, 237-244
#LIST: H  K  L  dsp  Int
  0   2   0   9.01300   74.37
  2   1   0   8.24520   75.67
  1   0   1   5.07990    7.88
  0   1   1   5.06890    3.75
  2   3   0   5.04240    9.06
  1   1   1   4.88950   16.43
  2   0   1   4.58950    7.74
  0   4   0   4.50650   24.25
  2   1   1   4.44760   18.60
  4   2   0   4.12260   23.70
  2   2   1   4.08980    3.24
  3   0   1   4.01560    3.29
  0   3   1   3.96710    2.29
  3   1   1   3.91950    2.39
  1   3   1   3.87930   23.36
  2   3   1   3.64730   65.81
  1   4   1   3.37120    3.65
  2   5   0   3.36010    2.52
  3   3   1   3.33870   23.01
  4   2   1   3.24990   27.01
  4   4   0   3.23140   72.29
  2   4   1   3.21550    4.89
  6   1   0   3.04620  100.00
  5   0   1   3.03530    2.41
  4   3   1   3.01420   10.20
  0   6   0   3.00430    3.31
  3   4   1   2.99810    2.57
  1   5   1   2.94000    5.77
  5   2   1   2.87650   29.37
  2   5   1   2.83510   69.66
  6   3   0   2.74840   19.85
  5   3   1   2.70920   10.21
  3   5   1   2.68270   46.67
  6   0   1   2.66760    1.62
  6   1   1   2.63880    1.82
  1   1   2   2.58750    2.43
  1   6   1   2.58590   44.75
  6   2   1   2.55790    8.67
  2   0   2   2.54000   63.05
  4   6   0   2.52120    4.92
  5   4   1   2.51750    1.20
  2   6   1   2.51370   11.68
  1   2   2   2.51110    2.30
  4   5   1   2.50540   21.74
  6   3   1   2.43810    1.27
  3   0   2   2.42860   23.52
  3   1   2   2.40690    1.01
  6   5   0   2.34640    5.20
  3   2   2   2.34500    3.27
  5   5   1   2.32190   21.25
  1   7   1   2.29690    6.80
  4   0   2   2.29480    2.46
  7   2   1   2.29030    9.83
  4   1   2   2.27640    5.40
  4   6   1   2.27530    9.32
  0   8   0   2.25320    2.30
  2   7   1   2.24580   17.97
  8   2   0   2.24490    1.20
  3   7   1   2.16770    3.43
  5   0   2   2.15130   32.01
  4   3   2   2.14370    2.72
  3   4   2   2.13790    4.23
  5   1   2   2.13610   10.68
  5   6   1   2.13520   27.36
  5   2   2   2.09250    2.10
  4   7   1   2.07090    2.28
  8   2   1   2.06610    6.18
  8   4   0   2.06130    1.70
  1   8   1   2.05970    1.96
  4   8   0   2.02660    5.46
  5   3   2   2.02540    2.13
  2   8   1   2.02260    2.56
  6   6   1   1.99470   19.89
  7   5   1   1.97920    9.11
  6   7   0   1.97840    3.38
  3   8   1   1.96500    1.19
  5   7   1   1.96370    5.26
  2   9   0   1.95770    3.92
  4   5   2   1.93590    3.00
  3   6   2   1.88870    1.31
  7   0   2   1.87030    9.37
  1   9   1   1.86330    5.98
  7   6   1   1.85980    1.57
  5   5   2   1.84740    1.24
 10   1   0   1.84470    7.82
  2   9   1   1.83570    7.41
  8   6   0   1.83520    2.10
  6   4   2   1.83400    7.49
  7   2   2   1.83130    2.47
  8   5   1   1.82910    5.28
  5   8   1   1.80920    1.28
 10   3   0   1.77190    3.55
  8   1   2   1.73410    7.03
  8   6   1   1.73360   11.77
  2   0   3   1.72980    1.30
  7   4   2   1.72750    6.61
  6   8   1   1.72130    1.05
  1   8   2   1.70690    3.78
  2   2   3   1.69880    6.15
  9   5   1   1.69440    1.28
  0   3   3   1.68960    9.06
  2   8   2   1.68560    6.67
  1   3   3   1.68270    1.35
  5   9   1   1.67170    1.43
  3   2   3   1.66420    1.28
  3   8   2   1.65180    2.03
  4   1   3   1.63910    1.32
  9   0   2   1.62450    6.64
  9   1   2   1.61800    4.43
  9   6   1   1.61760   19.68
  8   8   0   1.61570    3.46
  2  11   0   1.61370   13.40
  4  10   1   1.60100    2.58
  9   2   2   1.59880    1.68
  4   3   3   1.58750    1.70
  0   5   3   1.58210   26.66
  1   5   3   1.57640    3.76
  5  10   1   1.54990    3.12
 12   0   0   1.54530    7.30
  3   9   2   1.54520    3.15
  9   4   2   1.52830    4.66
  1   6   3   1.51400    8.50
 10   6   1   1.51200   18.88
  6   2   3   1.50830    1.41
  0  12   0   1.50220   22.92
  2   6   3   1.49900   18.93
  6   8   2   1.49900    1.36
 11   5   1   1.46700    1.67
  9   8   1   1.46120    1.14
  0   7   3   1.45340    7.59
  6  11   0   1.44780    5.56
  7   8   2   1.43910    1.81
 10   4   2   1.43830    3.70
  7  10   1   1.43430    2.27
 11   0   2   1.42100    8.53
 11   1   2   1.41660    9.02
 11   6   1   1.41630   26.74
  1  11   2   1.38850    1.15
  4   7   3   1.38690    1.27
 11   3   2   1.38290    1.64
  8  10   1   1.37400    1.23
  2   8   3   1.37210    1.30
 12   5   1   1.37160    3.11
  6   6   3   1.36330   13.03
  3  11   2   1.35840    6.40
 12   1   2   1.33010    9.17
 12   6   1   1.32990   15.14
  0   9   3   1.32240    2.18
 14   1   0   1.32100    3.36
  7   6   3   1.31780    1.34
  1   0   4   1.31720    3.21
  8   9   2   1.31450    1.46
  1   1   4   1.31370    2.95
  2   0   4   1.30730    2.73
  8   5   3   1.30670    2.35
  5  11   2   1.30360    1.50
 12   3   2   1.30210    4.12
  2  12   2   1.29300   18.33
  3   0   4   1.29140    4.38
  1   3   4   1.28660    1.50
 13   5   1   1.28650    2.31
  3  12   2   1.27750    9.87
  4   9   3   1.27160    2.43
  4   0   4   1.27000    5.91
  1   4   4   1.26430    2.22
 10   2   3   1.26420    3.37
  9   9   2   1.26170    1.69
  8  12   0   1.26060    2.29
  2  10   3   1.24810    2.63
  5   0   4   1.24400    1.67
  5  12   2   1.23160    3.41
  5   4   4   1.19920    1.69
  8  11   2   1.19360    4.14
  5  14   1   1.18530    1.03
  7   0   4   1.18180    1.88
 10   6   3   1.17510    2.69
  7  12   2   1.17120    1.70
  2  15   1   1.16250    1.04
 16   0   0   1.15900    2.03
  9  11   2   1.15370    6.13
  3  15   1   1.15130    1.46
  8   0   4   1.14740    2.42
 10  13   0   1.11050    1.75
 12   9   2   1.11020    1.04
  9   1   4   1.10970    1.30
 14   9   0   1.10480    2.80
  9  12   2   1.10290    4.89

#COMP: Actinolite
#NAMEALT: Amphibole
#FORMULA: Ca2 (Mg,Fe)5 Si8 O22 (OH)2
#CELL_PARAMETERS: 9.8340 18.0780 5.2830 90.000 104.630 90.000
#SPACE_GROUP: C 2/m
#REF: Evans B W, Yang H (1998) Am. Mineral. 83, 458-475
#LIST: H  K  L  dsp  Int
  0   2   0   9.03900   37.82
  1   1   0   8.42010   80.68
  0   0   1   5.11170    4.26
  1   3   0   5.09090   10.42
 -1   1   1   4.88010   29.30
  2   0   0   4.75760    2.64
  0   4   0   4.51950   23.00
  0   2   1   4.44950    1.30
  2   2   0   4.21000    8.23
 -2   0   1   4.02650    2.48
  1   1   1   3.99170    2.99
 -1   3   1   3.87870   22.25
  1   3   1   3.38560   50.83
  2   4   0   3.27670   35.38
  3   1   0   3.12400   64.66
  2   0   1   3.11250    1.92
 -3   1   1   3.02090    1.83
 -1   5   1   2.94340    4.93
  2   2   1   2.94290   36.36
  3   3   0   2.80670    9.89
 -3   3   1   2.73120   22.23
  1   5   1   2.70970  100.00
  0   6   1   2.59570   35.56
  0   0   2   2.55590    6.86
 -2   0   2   2.53410   57.70
  0   2   2   2.45940    1.63
 -2   2   2   2.44000    2.22
 -2   6   1   2.41240    2.32
  3   1   1   2.41200    1.04
 -4   0   1   2.40110    1.01
  3   5   0   2.38430    6.51
 -3   5   1   2.33750   34.56
 -4   2   1   2.32060   14.25
 -1   7   1   2.30110   15.07
 -3   1   2   2.27490   18.96
  3   3   1   2.25660    1.10
 -2   4   2   2.21040    6.21
  1   7   1   2.18410    5.00
  1   3   2   2.16960    1.23
  2   6   1   2.16480   29.82
 -3   3   2   2.14320    3.24
 -1   5   2   2.13270    2.71
  2   0   2   2.04630   16.86
  3   5   1   2.01890   14.11
 -4   0   2   2.01330    9.34
  3   7   0   2.00270    5.86
 -3   7   1   1.97470    1.76
  1   9   0   1.96540    4.89
 -4   2   2   1.96510    1.28
 -3   5   2   1.93650    3.38
  4   2   1   1.92890    1.67
  5   1   0   1.89260    6.48
 -4   6   1   1.87780    2.41
 -1   9   1   1.86740   10.46
  2   4   2   1.86420    2.49
 -1   7   2   1.84650    3.60
 -4   4   2   1.83900    3.52
  5   3   0   1.81470    4.04
  0  10   0   1.80780    2.16
 -5   1   2   1.74500    5.41
 -5   5   1   1.71760    1.66
 -3   7   2   1.71470    1.32
  0  10   1   1.70440    1.78
  0   8   2   1.69290    1.12
 -2   8   2   1.68660    6.65
 -1   3   3   1.68580    7.07
 -3   9   1   1.67990    1.10
  0   2   3   1.67440    5.56
  4   6   1   1.65140   24.65
  4   8   0   1.63840    6.77
  1  11   0   1.61950   12.66
  6   0   0   1.58590    4.18
 -1   5   3   1.57950   22.12
  2  10   1   1.56320    1.10
 -5   7   1   1.55720    1.01
  4   0   2   1.55630    5.12
 -6   0   2   1.53200   10.10
  1   9   2   1.52010    4.01
 -2   6   3   1.51370   20.27
  0  12   0   1.50650   10.39
 -4   8   2   1.50320    2.54
  5   5   1   1.50270    5.13
  0   6   3   1.48320    1.31
 -2  10   2   1.47170    1.80
  4   4   2   1.47150    3.64
  2   2   3   1.46940    1.64
  3   7   2   1.46690    1.15
  3  11   0   1.45920    4.43
 -1   7   3   1.45210    3.19
 -6   4   2   1.45090    3.04
 -3  11   1   1.44830    1.18
  4  10   0   1.43930    1.16
 -6   6   1   1.43780   28.98
 -5   3   3   1.42520    1.52
  6   2   1   1.39970    1.21
  5   1   2   1.36570   11.48
 -5   5   3   1.35920    4.71
  7   1   0   1.35550    2.67
  1  11   2   1.34210    7.33
 -1  13   1   1.34110    1.17
 -3  11   2   1.33580    4.11
  5   3   2   1.33560    2.63
  2   6   3   1.33500    5.31
 -5   9   2   1.32080    2.13
 -7   3   2   1.31710    1.03
 -7   5   1   1.30940    7.83
 -1   1   4   1.30760    5.98
  6   8   0   1.29810    1.09
  0  12   2   1.29780    5.57
 -2  12   2   1.29500   13.77
 -3   9   3   1.29290    1.39
  6   6   1   1.28210    2.27
 -1   3   4   1.28100    1.66
  0   0   4   1.27790    3.55
 -3   3   4   1.27550    1.23
 -4   0   4   1.26710    5.01
 -7   7   1   1.23400    1.01
  4   2   3   1.23280    1.23
 -2  14   1   1.22960    1.79
 -5  11   2   1.19900    8.93
  8   0   0   1.18940    2.18
  2   0   4   1.16280    4.42
 -8   4   2   1.16030    1.35
  1  15   1   1.15610    1.18
  4   6   3   1.15020    1.19
  2  10   3   1.14940    1.45
  7   9   0   1.12580    2.71
  5  13   0   1.12280    1.07
  5   3   3   1.11530    1.11
 -6   4   4   1.11130    1.83
 -7   7   3   1.10600    1.06
  0  16   1   1.10320    1.02
  3   1   4   1.09150    1.63

#COMP: Hornblende
#NAMEALT: Amphibole
#FORMULA: Ca2 (Mg, Fe, Al)5 (Al, Si)8 O22 (OH)2
#CELL_PARAMETERS: 9.8290 18.0600 5.3040 90.000 104.700 90.000
#SPACE_GROUP: C 2/m
#REF: Makino K, Tomita K (1989) Am. Mineral. 74, 1097-1105
#LIST: H  K  L  dsp  Int
  0   2   0   9.03000   28.78
  1   1   0   8.41280  100.00
  0   0   1   5.13040    1.16
  1   3   0   5.08610    4.50
 -1   1   1   4.89600   21.63
  0   4   0   4.51500   18.61
  0   2   1   4.46070    2.04
  2   2   0   4.20640    3.01
  1   1   1   3.99910    3.34
 -1   3   1   3.88530   14.47
  1   3   1   3.38930   45.84
  2   4   0   3.27370   28.71
  3   1   0   3.12140   63.34
 -3   1   1   3.02320    1.56
 -1   5   1   2.94500    1.43
  2   2   1   2.94470   27.33
  3   3   0   2.80430   10.52
 -3   3   1   2.73240   20.23
  1   5   1   2.71050   88.19
 -1   1   2   2.62350    1.39
  0   6   1   2.59620   42.47
  0   0   2   2.56520    3.11
 -2   0   2   2.54330   53.44
 -2   2   2   2.44800    1.18
  3   5   0   2.38220    4.45
  4   0   0   2.37680    1.12
 -3   5   1   2.33760   33.96
 -4   2   1   2.32090   10.61
  1   1   2   2.31300    1.13
 -1   7   1   2.30090    8.77
 -3   1   2   2.28110   16.97
  3   3   1   2.25660    1.38
 -2   4   2   2.21590    4.76
  1   7   1   2.18380    4.34
  2   6   1   2.16460   30.23
 -3   3   2   2.14820    3.44
 -1   5   2   2.13750    1.88
  2   0   2   2.05050   17.09
  3   5   1   2.01850   14.87
 -4   0   2   2.01720   10.80
  3   7   0   2.00080    4.15
 -3   7   1   1.97420    1.93
  1   9   0   1.96340    3.54
 -3   5   2   1.93980    2.13
  4   2   1   1.92850    1.36
  5   1   0   1.89100    4.11
 -4   6   1   1.87730    3.13
  2   4   2   1.86700    1.91
 -1   9   1   1.86670    7.75
 -1   7   2   1.84910    2.88
 -4   4   2   1.84180    2.71
  5   3   0   1.81320    2.62
  0  10   0   1.80600    2.34
 -5   1   2   1.74720    5.54
 -5   5   1   1.71700    1.88
  0  10   1   1.70350    1.30
 -1   3   3   1.69180    5.92
 -2   8   2   1.68830    5.46
  0   2   3   1.68030    4.31
 -3   9   1   1.67910    1.31
  4   6   1   1.65070   22.57
  4   8   0   1.63690    5.16
  1  11   0   1.61790   11.53
  6   0   0   1.58450    4.71
 -1   5   3   1.58420   19.77
  4   0   2   1.55750    5.76
 -6   0   2   1.53320    9.06
  1   9   2   1.52110    3.18
 -2   6   3   1.51770   19.04
  0  12   0   1.50500    9.36
 -4   8   2   1.50420    1.91
  5   5   1   1.50200    4.40
  0   6   3   1.48690    1.39
  2   2   3   1.47300    1.40
 -2  10   2   1.47250    2.30
  4   4   2   1.47240    2.56
  3  11   0   1.45780    4.58
 -1   7   3   1.45550    2.60
 -6   4   2   1.45180    2.16
  4  10   0   1.43800    1.38
 -6   6   1   1.43710   26.26
 -5   3   3   1.42850    1.28
 -4   6   3   1.40790    1.08
  5   1   2   1.36630    9.64
 -5   5   3   1.36200    4.48
  7   1   0   1.35440    2.48
  1  11   2   1.34250    6.92
  2   6   3   1.33750    5.28
 -3  11   2   1.33620    3.77
  5   3   2   1.33610    2.28
 -1   9   3   1.32440    1.05
 -5   9   2   1.32120    1.58
 -1   1   4   1.31260    5.19
 -7   5   1   1.30870    6.43
  0  12   2   1.29810    3.08
 -2  12   2   1.29520   11.12
 -3   9   3   1.29510    1.00
 -1   3   4   1.28570    1.69
  0   0   4   1.28260    3.12
  6   6   1   1.28130    1.12
 -3   3   4   1.28020    1.00
 -4   0   4   1.27160    4.31
 -2  14   1   1.22870    1.59
 -5  11   2   1.19910    7.91
  8   0   0   1.18840    1.82
  2   0   4   1.16610    3.91
  2  10   3   1.15070    1.08
  7   9   0   1.12480    1.88
  5   3   3   1.11650    1.09
 -6   4   4   1.11420    1.52
  3   1   4   1.09410    1.30

#COMP: Magnesium silicate (hydrated)
#NAMEALT: Talc
#FORMULA: Mg3 Si4 O10 (OH)2
#CELL_PARAMETERS: 5.2900 9.1730 9.4600 90.460 98.680 90.090
#SPACE_GROUP: C -1
#REF: Perdikatsis B, Burzlaff H (1981) Z. Kristallogr. 156, 177-186
#LIST: H  K  L  dsp  Int
  0   0   1   9.35130  100.00
  0   0   2   4.67570   12.43
  0   2   0   4.58630   10.10
 -1   1   0   4.54850   26.56
  1   1   0   4.53750   27.13
 -1  -1   1   4.31780   19.20
  0  -2   1   4.13140   26.81
  0   2   1   4.10420    8.36
  1  -1   1   3.89990   15.31
 -1  -1   2   3.50120    1.21
 -1   1   2   3.48960   15.38
  0   2   2   3.26060   12.90
  0   0   3   3.11710   58.95
  1   1   2   3.05640    9.96
 -1  -1   3   2.74840    7.12
 -1   1   3   2.73870    2.53
 -1   3   0   2.64270    2.27
  1   3   0   2.63630    3.34
 -2   0   1   2.62290    7.91
  2   0   0   2.61470    7.26
 -1  -3   1   2.59440    9.18
 -1   3   1   2.59040    9.53
  0  -2   3   2.58810    3.71
  1  -3   1   2.49840   30.44
  1   3   1   2.48390   30.74
 -2   0   2   2.44470   30.09
  1  -1   3   2.43120    4.07
  1   1   3   2.42110    1.46
  1  -3   2   2.23550   11.69
  1   3   2   2.21870   10.51
 -2   0   3   2.17110    7.38
 -2  -2   2   2.15890    1.05
  2   0   2   2.14820    7.72
 -1  -3   3   2.10100    7.37
  0  -2   4   2.08990    1.34
 -1   3   3   2.08820    6.90
  0   2   4   2.07580    1.47
  0   4   2   2.05210    1.60
 -2   2   3   1.95970    1.74
  1  -3   3   1.95040    2.46
  2  -2   2   1.95000    1.76
  1   3   3   1.93500    2.43
 -2   0   4   1.89030    2.88
  0   0   5   1.87030    3.90
  0  -4   3   1.85460    1.81
 -1   5   0   1.73260    1.32
 -3  -1   1   1.73010    1.18
 -2   4   1   1.72680    1.68
  2   2   3   1.72670    1.77
 -2  -4   1   1.72600    1.02
 -3   1   0   1.71340    1.51
  3   1   0   1.71160    1.11
  1  -3   4   1.69390    7.83
 -3   1   2   1.69090    1.21
  1   5   1   1.68340    1.14
  1   3   4   1.68100    8.18
 -2  -4   2   1.67400    1.21
  2   4   1   1.66220    1.24
 -1  -5   2   1.65360    1.53
 -2   0   5   1.64300    8.37
 -1   3   5   1.57890    1.31
  0   0   6   1.55860    2.17
 -2  -2   5   1.54950    1.45
 -1   5   3   1.54220    1.05
  3   1   2   1.53480    1.01
  0   6   0   1.52880    9.59
 -3   3   1   1.52760    9.06
 -3  -3   1   1.52590    9.24
 -3   3   0   1.51620    3.98
  3   3   0   1.51250    3.46
  0  -6   1   1.51080    2.55
  0   6   1   1.50670    1.77
 -3  -3   2   1.49960    1.12
  1  -3   5   1.47920    2.32
  1   3   5   1.46870    1.85
  0   4   5   1.44350    1.26
  2   0   5   1.42290    8.78
 -1  -3   6   1.39340    8.95
 -1   3   6   1.38500    8.72
 -2   2   6   1.36940    1.15
  2  -2   5   1.36210    1.12
 -3  -3   4   1.35620    1.16
 -3   3   4   1.35300    1.27
  0   0   7   1.33590    2.02
 -2   6   0   1.32140    2.38
 -2   6   1   1.32110    1.99
 -2  -6   1   1.32050    1.04
  2   6   0   1.31810    2.43
 -4   0   2   1.31140    1.36
  4   0   0   1.30730    6.46
  3  -3   3   1.30000    1.01
 -2  -6   2   1.29720    5.23
 -2   6   2   1.29520    4.34
  0  -4   6   1.29410    1.04
 -4   0   3   1.27630    2.09
  2   0   6   1.25790    1.74
  2  -6   2   1.24920    1.69
  2   6   2   1.24200    1.23
 -2   6   4   1.18600    1.18
  4   0   3   1.14550    3.03
 -2  -6   5   1.12240    2.62
 -2   6   5   1.11610    2.27

#COMP: Prehnite
#FORMULA: Al2 Ca2 H2 O12 Si3
#CELL_PARAMETERS: 4.5058 5.3618 18.2080 90.000 90.000 90.000
#SPACE_GROUP: P n c m
#REF: Detrie, T. A.; Ross, N. L.; Angel, R. J.; Gatta, G. D. (2009) Eur. J. Miner. 21, 561-570
#LIST: H  K  L  dsp  Int
  0   0   2   9.10400    0.18
  0   1   1   5.14340    5.95
  0   0   4   4.55200    0.00
  1   0   0   4.50580    1.15
  1   0   2   4.03830    0.84
  0   1   3   4.01830    0.11
  1   1   0   3.44950   11.19
  1   1   1   3.38920    7.90
  1   1   2   3.22570   10.14
  1   0   4   3.20230   27.00
  0   0   6   3.03470    1.75
  0   1   5   3.01250    8.21
  1   1   3   2.99900   15.15
  1   1   4   2.74930    9.73
  0   2   0   2.68090    3.05
  0   2   2   2.57170    1.06
  1   0   6   2.51700   28.48
  1   1   5   2.50430    3.07
  0   1   7   2.34030    0.40
  0   2   4   2.31000    3.84
  1   2   0   2.30390   28.96
  1   2   1   2.28570   26.55
  1   1   6   2.27850   49.02
  0   0   8   2.27600    0.19
  2   0   0   2.25290    1.68
  1   2   2   2.23350    5.94
  2   0   2   2.18690   20.93
  1   2   3   2.15400   12.20
  2   1   0   2.07700    8.71
  1   1   7   2.07690    3.61
  2   1   1   2.06360    3.64
  1   2   4   2.05560    0.13
  1   0   8   2.03150    9.05
  2   1   2   2.02500    4.39
  2   0   4   2.01910    9.05
  0   2   6   2.00920   39.78
  2   1   3   1.96510    1.70
  1   2   5   1.94700    4.18
  1   1   8   1.89970   22.11
  0   1   9   1.89290   22.27
  2   1   4   1.88960   14.83
  1   2   6   1.83500    2.46
  0   0  10   1.82080    2.75
  2   0   6   1.80890    1.37
  2   1   5   1.80420    5.51
  0   3   1   1.77870    5.27
  1   1   9   1.74510   15.60
  0   2   8   1.73510    9.67
  2   2   0   1.72480   86.34
  1   2   7   1.72470   11.57
  2   2   1   1.71710    2.79
  0   3   3   1.71450   20.90
  2   1   6   1.71400   17.09
  2   2   2   1.69460    0.06
  1   0  10   1.68820    9.87
  1   3   0   1.66130   58.76
  2   2   3   1.65910    0.60
  1   3   1   1.65450    1.57
  1   3   2   1.63440    0.04
  2   1   7   1.62310   58.64
  1   2   8   1.61920    6.14
  2   2   4   1.61290    3.86
  1   1  10   1.61020    0.03
  0   3   5   1.60440    8.02
  1   3   3   1.60240    4.15
  2   0   8   1.60110   14.45
  0   1  11   1.58160    1.11
  1   3   4   1.56060    0.48
  2   2   5   1.55880    1.35
  2   1   8   1.53420   21.31
  1   2   9   1.52020    0.01
  0   0  12   1.51730  100.00
  1   3   5   1.51150   13.55
  0   2  10   1.50620   19.26
  3   0   0   1.50190    5.99
  2   2   6   1.49950    6.05
  1   1  11   1.49230    1.78
  3   0   2   1.48190    6.66
  0   3   7   1.47310   73.97
  1   3   6   1.45730    0.01
  2   1   9   1.44920    1.31
  3   1   0   1.44630   15.37
  3   1   1   1.44170    3.43
  1   0  12   1.43800    0.01
  2   2   7   1.43750    0.59
  1   2  10   1.42850    1.32
  3   1   2   1.42840    0.34
  3   0   4   1.42630    1.50
  2   0  10   1.41610    7.85
  3   1   3   1.40690    9.04
  2   3   0   1.40020    4.42
  1   3   7   1.40010   10.84
  2   3   1   1.39610    2.23
  1   1  12   1.38890   16.04
  2   3   2   1.38390    2.45
  3   1   4   1.37840   21.39
  2   2   8   1.37460   30.35
  2   1  10   1.36920    1.96
  2   3   3   1.36430    0.02
  0   1  13   1.35510    0.03
  3   0   6   1.34610    3.00
  1   2  11   1.34430    4.04
  3   1   5   1.34410   10.53
  1   3   8   1.34190    1.57
  0   4   0   1.34050   43.89
  0   3   9   1.33940   23.34
  2   3   4   1.33830    8.25
  0   4   2   1.32620   34.01
  0   2  12   1.32050   66.17
  2   2   9   1.31250    0.98
  3   2   0   1.31030    5.60
  3   2   1   1.30690   29.37
  2   3   5   1.30690   18.50
  3   1   6   1.30560    0.51
  0   0  14   1.30060    3.99
  1   1  13   1.29770    0.71
  3   2   2   1.29700    0.22
  2   1  11   1.29450    0.12
  0   4   4   1.28590    0.36
  1   4   0   1.28480    0.45
  1   3   9   1.28390   22.68
  1   4   1   1.28160    4.61
  3   2   3   1.28080    0.96
  1   4   2   1.27220    0.01
  2   3   6   1.27140   17.71
  1   2  12   1.26720   15.04
  3   1   7   1.26400    9.17
  3   2   4   1.25920   30.72
  2   0  12   1.25850   43.56
  1   4   3   1.25690   16.33
  3   0   8   1.25360   12.06
  2   2  10   1.25220   10.79
  1   0  14   1.24960   11.51
  1   4   4   1.23650   14.85
  3   2   5   1.23290    0.88
  2   3   7   1.23290    2.43
  1   3  10   1.22730    2.53
  0   4   6   1.22620   13.77
  2   1  12   1.22520    5.52
  3   1   8   1.22070   48.06
  1   1  14   1.21690   18.99
  0   3  11   1.21440    0.00
  1   4   5   1.21160    0.20
  3   2   6   1.20300   16.85
  1   2  13   1.19680   24.17
  2   2  11   1.19430    2.31
  2   3   8   1.19260   10.40
  0   1  15   1.18390   22.69
  1   4   6   1.18310   14.33
  3   1   9   1.17650   11.86
  1   3  11   1.17260    8.08
  3   2   7   1.17020    6.33
  0   2  14   1.17010    2.96
  2   1  13   1.16130   12.91
  3   0  10   1.15860    1.11
  0   4   8   1.15500   40.37
  2   4   0   1.15200   66.95
  1   4   7   1.15190    0.16
  2   3   9   1.15130   20.15
  3   3   0   1.14980    1.65

#COMP: Diopside
#NAMEALT: Pyroxene
#FORMULA: Al0.6 Ca Mg0.7 O6 Si1.7
#CELL_PARAMETERS: 9.7330 8.9090 5.2960 90.000 106.350 90.000
#SPACE_GROUP: C 2/c
#REF: Tribaudino, M. (1996) Eur. J. Miner. 8, 273-279
#LIST: H  K  L  dsp  Int
  1   1   0   6.44640    0.33
  2   0   0   4.66970    0.19
  0   2   0   4.45450    4.76
 -1   1   1   4.43140    1.14
  1   1   1   3.66010    0.42
  0   2   1   3.34980    5.61
  2   2   0   3.22320    2.72
 -2   2   1   2.99810   26.93
  3   1   0   2.93890   15.09
 -3   1   1   2.89990   10.69
  1   3   0   2.83000    1.53
 -1   3   1   2.56730    6.18
 -2   0   2   2.55410   20.02
  0   0   2   2.54090   22.53
 -1   1   2   2.53810    0.12
  2   2   1   2.51020    7.90
  1   3   1   2.38740   26.30
  4   0   0   2.33480   27.30
  3   1   1   2.29360   13.44
 -3   1   2   2.23890   12.35
  0   4   0   2.22730    5.40
  1   1   2   2.22120   27.05
 -2   2   2   2.21570    0.66
  0   2   2   2.20710   26.51
  3   3   0   2.14880   15.85
 -3   3   1   2.13340   55.81
 -4   2   1   2.10770   17.81
  4   2   0   2.06800    1.33
  0   4   1   2.03990   19.76
 -4   0   2   2.02680   14.15
  2   4   0   2.01030    0.78
  2   0   2   2.00720   50.36
 -1   3   2   1.97630   11.19
 -2   4   1   1.95200    2.48
 -5   1   1   1.89450    2.01
  3   3   1   1.85410    4.00
 -4   2   2   1.84480   11.28
  2   2   2   1.83000    0.36
  5   1   0   1.82810   13.68
 -3   3   2   1.82490    5.01
  1   3   2   1.81530    5.31
  2   4   1   1.79640    0.21
  4   2   1   1.76780    2.45
  1   5   0   1.75020   36.17
 -5   1   2   1.72650    0.76
 -1   1   3   1.72270    0.05
  3   1   2   1.71040    0.27
 -1   5   1   1.68240    6.59
 -2   4   2   1.67860    0.12
  0   4   2   1.67490   11.74
 -3   1   3   1.67240   12.67
 -2   2   3   1.63610   44.08
 -4   4   1   1.63020    5.58
  1   5   1   1.62860    0.25
 -5   3   1   1.62350   22.49
  4   4   0   1.61160   29.63
  5   1   1   1.58660    0.20
  0   2   3   1.58330    2.49
  5   3   0   1.58110    2.35
  1   1   3   1.56530    4.99
  6   0   0   1.55660   23.17
  3   5   0   1.54640    0.01
 -3   5   1   1.54070    1.15
 -6   0   2   1.53340   39.09
 -6   2   1   1.52380    3.45
  4   0   2   1.51930   24.01
 -5   3   2   1.51400    0.64
 -1   3   3   1.51140   55.69
 -4   2   3   1.50760    0.34
  3   3   2   1.50310    5.76
 -4   4   2   1.49900    0.77
  2   4   2   1.49110    4.60
  0   6   0   1.48480   43.80
 -1   5   2   1.47830    3.89
 -3   3   3   1.47710   10.25
  6   2   0   1.46940    0.08
 -5   1   3   1.45900    4.63
  4   4   1   1.45680    0.25
 -6   2   2   1.44990   17.99
  4   2   2   1.43800   32.21
  0   6   1   1.42520    4.07
  3   5   1   1.42500    5.22
  5   3   1   1.41700  100.00
  2   6   0   1.41500    0.20
 -3   5   2   1.41160   21.66
  1   5   2   1.40710    9.45
  1   3   3   1.40170    0.97
 -2   6   1   1.39420    4.35
  2   2   3   1.39220    2.46
 -2   4   3   1.38040   21.56
 -7   1   1   1.37350    0.00
  0   4   3   1.34830    0.22
  2   6   1   1.33410    2.80
 -7   1   2   1.33250   67.92
 -2   0   4   1.32390   10.58
 -5   3   3   1.32390    0.16
  3   1   3   1.32330    2.72
  5   1   2   1.32140    4.49
  6   2   1   1.32100   22.60
  7   1   0   1.31950    0.19
 -5   5   1   1.31190    0.01
 -6   4   1   1.31100    0.03
 -4   4   3   1.30060    2.87
 -3   1   4   1.29860   35.37
 -1   1   4   1.29510   27.83
 -6   2   3   1.29300    2.85
  5   5   0   1.28930    4.84
 -2   6   2   1.28370   43.39
  0   6   2   1.28200   58.88
 -4   0   4   1.27700   11.53
  6   4   0   1.27590   15.11
  0   0   4   1.27050   17.90
 -2   2   4   1.26910    0.68
 -6   4   2   1.26300    2.29
 -4   6   1   1.26160    2.09
  1   7   0   1.26110    9.57
 -7   3   1   1.25900   28.54
  4   4   2   1.25510    6.05
  4   6   0   1.25290    1.97
 -5   5   2   1.25210    1.06
 -1   5   3   1.25060    0.22
  3   5   2   1.24590   61.59
 -1   7   1   1.23500    2.38
 -3   5   3   1.23100    4.88
 -4   2   4   1.22760    7.89
 -7   3   2   1.22720    8.11
  2   4   3   1.22430    2.68
  0   2   4   1.22170    4.05
  3   3   3   1.22000    3.75
  5   3   2   1.21850    1.61
 -7   1   3   1.21830    1.18
  7   3   0   1.21700    6.89
  1   7   1   1.21320   17.64
 -5   1   4   1.21130    3.81
  1   1   4   1.20290    1.76
 -3   3   4   1.20060    7.83
  7   1   1   1.19850    1.49
 -1   3   4   1.19780    0.53
 -4   6   2   1.19780    9.11
 -8   0   2   1.19620    4.26
  5   5   1   1.19550    2.38
  2   6   2   1.19370    5.62
  6   0   2   1.18680   22.10
  1   5   3   1.18630   14.25
  3   7   0   1.17810    8.23
  4   6   1   1.17590    0.05
 -3   7   1   1.17550    1.80
  6   4   1   1.17510    3.79
  4   2   3   1.17470    2.81
 -8   2   1   1.17210    0.11
  8   0   0   1.16740   52.45
 -6   0   4   1.15660   88.78
 -8   2   2   1.15530    1.81
 -6   4   3   1.15520   15.66
 -1   7   2   1.14710   11.63

#COMP: Laumontite
#FORMULA:  Ca (AlSi2O6)2 4(H2O)
#CELL_PARAMETERS: 14.5601 13.1629 7.4291 90.000 110.582 90.000
#SPACE_GROUP: C 2/m
#REF: Stahl K, Artioli G, Hanson J C (1996) Phys. Chem. Miner. 23, 328-336
#LIST: H  K  L  dsp  Int
  1   1   0   9.46860  100.00
  2   0   0   6.81540   32.90
 -2   0   1   6.04460    7.71
  1   1   1   5.04790    5.10
  2   2   0   4.73430    8.68
 -2   2   1   4.45190   17.98
  2   0   1   4.18720   14.08
  1   3   0   4.17660   20.11
 -1   3   1   3.76400    3.04
 -4   0   1   3.60090   25.34
  2   2   1   3.53280    9.24
  0   0   2   3.47750   48.80
  1   3   1   3.42160    4.97
  0   4   0   3.29070   16.35
 -3   1   2   3.28960   21.55
 -3   3   1   3.18130    6.29
  3   3   0   3.15620    4.66
  1   1   2   3.03330    6.91
  4   2   0   3.02610   11.06
 -5   1   1   2.84070    6.44
 -4   2   2   2.74650    5.68
  3   3   1   2.64160    2.07
  2   4   1   2.58730   12.73
  1   3   2   2.54120    2.85
  2   2   2   2.52400    2.66
 -1   5   1   2.47740    2.17
 -2   0   3   2.47620    1.58
 -2   4   2   2.44780    2.82
 -4   4   1   2.42920    8.70
 -5   3   1   2.42470    1.72
  1   5   1   2.37180    3.15
  4   4   0   2.36720    2.14
 -2   2   3   2.31760    2.76
  3   5   0   2.27780    2.50
  6   0   0   2.27180    1.00
  0   6   0   2.19380    3.25
 -6   2   2   2.17940    4.53
  6   2   0   2.14750    5.62
 -3   3   3   2.13350    4.36
 -7   1   2   2.00660    1.23
  4   2   2   1.99510    2.55
  2   0   3   1.99170    1.19
  6   0   1   1.96520    1.11
 -6   4   1   1.95260    1.56
 -5   5   1   1.95200    3.25
 -2   6   2   1.88200    1.49
  0   6   2   1.85540    4.21
 -3   1   4   1.83810    3.72
 -7   1   3   1.82630    1.96
  3   1   3   1.80470    1.02
  4   4   2   1.76640    2.82
  0   0   4   1.73870    1.17
  2   4   3   1.70390    3.56
  8   0   0   1.70380    1.59
  0   8   0   1.64540    1.23
 -7   5   1   1.62910    1.76
 -2   4   4   1.61100    1.77
 -7   5   2   1.60770    1.28
  6   2   2   1.60430    1.23
  2   8   0   1.59940    1.03
 -9   1   2   1.59940    2.57
 -7   1   4   1.59590    1.42
  7   5   0   1.56550    2.65
  2   8   1   1.53140    3.67
 -1   1   5   1.42720    1.45
 -9   1   4   1.40650    1.21
 -3   9   2   1.34340    1.13
 -6   8   2   1.34010    1.19
  6   8   0   1.33260    2.12
 -5   9   1   1.30670    1.05
  2   8   3   1.26850    1.61
  4   4   4   1.26200    1.40

#COMP: Aerinite
#FORMULA: Ca4 (Al,Fe,Mg)10 Si12 O35 (OH)12 CO3 12(H2O)
#CELL_PARAMETERS: 16.8820 16.8820 5.2251 90.000 90.000 120.000
#SPACE_GROUP: P 3 c 1
#REF: Rius J, Elkaim E, Torrelles X (2004) European J. Mineral. 16, 127-134
#LIST: H  K  L  dsp  Int
  1   0   0  14.62020  100.00
  3   0   0   4.87340    4.41
  3   1   0   4.05490   16.84
  1   2   1   3.79660   16.36
  4   0   0   3.65510   14.68
  2   2   1   3.28320    9.56
  1   3   1   3.20340    5.27
  3   1   1   3.20340    4.14
  4   1   0   3.19040    6.25
  5   0   0   2.92400    2.67
  3   3   0   2.81370    6.21
  1   4   1   2.72290    5.75
  4   1   1   2.72290   28.02
  5   1   0   2.62590    3.56
  0   1   2   2.57180    6.52
  1   1   2   2.49570    1.41
  2   0   2   2.46020    1.01
  4   2   1   2.44250    2.94
  4   3   0   2.40360    1.92
  1   2   2   2.36190    3.66
  2   1   2   2.36190    1.19
  5   1   1   2.34630    2.52
  0   3   2   2.30260    1.18
  3   0   2   2.30260    2.08
  1   3   2   2.19620    3.19
  2   5   1   2.13650    6.98
  0   4   2   2.12540    1.42
  3   2   2   2.06110    2.29
  6   1   1   2.05070    1.74
  4   1   2   2.02130    4.19
  4   4   1   1.95670    1.87
  5   3   1   1.93940    1.46
  3   3   2   1.91450    2.89
  5   1   2   1.85200    1.98
  6   3   0   1.84200    2.61
  8   0   0   1.82750    3.21
  6   0   2   1.78190    1.72
  3   4   2   1.76880    1.45
  4   5   1   1.76230    4.47
  5   4   1   1.76230    1.71
  5   2   2   1.74350    1.01
  1   8   1   1.62620    1.17
  8   1   1   1.62620    1.96
  9   0   0   1.62450    1.89
  5   5   1   1.60640    4.00
  2   6   2   1.60170    1.32
  3   1   3   1.60030    2.44
  1   4   3   1.52870    2.80
  4   2   3   1.47340    1.42
  8   4   0   1.38150    1.45
  0   9   2   1.37950    2.26
  9   3   0   1.35160    1.79
  3   5   3   1.33760    1.21
  0   1   4   1.30110    1.63
  6   7   1   1.25910    1.64