Pyrite
      Bayliss P
      American Mineralogist 62 (1977) 1168-1172
      Crystal structure refinement of a weakly anisotropic pyrite
      cubic model
      _database_code_amcsd 0000605

      CELL PARAMETERS:    5.4166   5.4166   5.4166   90.000   90.000   90.000
      SPACE GROUP: Pa3       
      X-RAY WAVELENGTH:     1.541838
      Cell Volume:    158.921
      Density (g/cm3):      5.014
      MAX. ABS. INTENSITY / VOLUME**2:      47.22399758    
      RIR:      3.067
      RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
               2-THETA      INTENSITY    D-SPACING   H   K   L   Multiplicity
                28.54         39.18        3.1273    1   1   1         8
                33.08         95.52        2.7083    2   0   0         6
                37.11         54.86        2.4224    2   1   0        12
                40.81         45.47        2.2113    2   1   1        24
                47.48         51.01        1.9151    2   2   0        12
                56.33        100.00        1.6332    3   1   1        24
                59.08         15.84        1.5636    2   2   2         8
                61.75         16.11        1.5023    3   0   2        12
                64.35         15.90        1.4476    3   2   1        24
                64.35          5.65        1.4476    3   1   2        24
                76.69         10.49        1.2427    3   3   1        24
                79.06          6.56        1.2112    4   2   0        12
                79.06          6.56        1.2112    4   0   2        12
                81.42          8.55        1.1820    4   2   1        24
                83.76          4.21        1.1548    3   3   2        24
                88.41         12.51        1.1057    4   2   2        24
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       XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs
  For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.