Pyrrhotite
      De Villiers J P R, Liles D C
      American Mineralogist 95 (2010) 148-152
      The crystal-structure and vacancy distribution in 6C pyrrhotite
      Locality: Mponeng Mine, South Africa
      Note: coordinate of S7 altered to match reported bond lengths
      _database_code_amcsd 0005000

      CELL PARAMETERS:    6.8973  11.9540  34.5210   90.000   90.003   90.000
      SPACE GROUP: Fd        
      X-RAY WAVELENGTH:     1.541838
      Cell Volume:   2846.268
      Density (g/cm3):      4.936
      MAX. ABS. INTENSITY / VOLUME**2:      73.56027894    
      RIR:      4.852
      RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
               2-THETA      INTENSITY    D-SPACING   H   K   L   Multiplicity
                29.90         16.93        2.9885    0   4   0         2
                29.91         33.75        2.9871    2   2   0         2
                31.09          5.61        2.8767    0   0  12         1
                33.80         11.76        2.6521    0   4   6         2
                33.81         11.64        2.6511   -2   2   6         2
                33.81         11.81        2.6510    2   2   6         2
                43.67         33.36        2.0726    0   4  12         2
                43.68         33.22        2.0721   -2   2  12         2
                43.69         33.42        2.0720    2   2  12         2
                53.09         24.17        1.7251    2   6   0         2
                53.11         12.03        1.7243    4   0   0         1
                57.06          1.87        1.6141    0   4  18         2
                57.07          1.89        1.6139   -2   2  18         2
                57.07          1.86        1.6138    2   2  18         2
                62.12          1.16        1.4943    0   8   0         2
                62.15          2.31        1.4935    4   4   0         2
                64.42          1.27        1.4463    0   8   6         2
                64.45          1.31        1.4456   -4   4   6         2
                64.45          1.24        1.4456    4   4   6         2
                64.82          5.60        1.4384    0   0  24         1
                71.09          4.93        1.3260    0   8  12         2
                71.12          4.87        1.3256   -4   4  12         2
                71.13          4.94        1.3255    4   4  12         2
                73.00          1.24        1.2961    0   4  24         2
                73.00          1.22        1.2960   -2   2  24         2
                73.01          1.25        1.2959    2   2  24         2
                88.50          3.45        1.1048   -2   6  24         2
                88.51          3.49        1.1047    2   6  24         2
                88.52          1.71        1.1046   -4   0  24         1
                88.53          1.75        1.1045    4   0  24         1
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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.