Pyrrhotite
      de Villiers J P R, Liles D C, Becker M
      American Mineralogist 94 (2009) 1405-1410
      The crystal structure of a naturally occurring 5C pyrrhotite
      from Sudbury, its chemistry, and vacancy distribution
      Locality: Copper Cliff North Mine, Sudbury, Canada
      _database_code_amcsd 0004985

      CELL PARAMETERS:    6.8930  11.9390  28.6350   90.000   90.000   90.000
      SPACE GROUP: Cmca      
      X-RAY WAVELENGTH:     1.541838
      Cell Volume:   2356.532
      Density (g/cm3):      4.613
      MAX. ABS. INTENSITY / VOLUME**2:      62.44187773    
      RIR:      4.408
      RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
               2-THETA      INTENSITY    D-SPACING   H   K   L   Multiplicity
                15.16          3.39        5.8439    1   1   1         8
                16.09          2.43        5.5098    0   2   2         4
                17.52          1.04        5.0612    1   1   3         8
                29.09          1.10        3.0698    0   2   8         4
                29.94         28.21        2.9848    2   2   0         4
                29.94         14.21        2.9848    0   4   0         2
                31.24          3.71        2.8635    0   0  10         2
                33.87         27.85        2.6469    2   2   5         8
                33.87         14.25        2.6468    0   4   5         4
                36.18          1.35        2.4827    2   0   8         4
                38.51          1.13        2.3378    1   3   9         8
                41.11          1.10        2.1957    2   4   3         8
                43.81         66.82        2.0663    2   2  10         8
                43.81         32.85        2.0663    0   4  10         4
                53.15         12.72        1.7233    4   0   0         2
                53.15         25.01        1.7232    2   6   0         4
                57.29          4.47        1.6082    2   2  15         8
                57.29          2.18        1.6082    0   4  15         4
                62.21          1.99        1.4924    4   4   0         4
                64.53          3.18        1.4442    4   4   5         8
                64.53          1.51        1.4441    0   8   5         4
                65.16          5.87        1.4318    0   0  20         2
                71.26         10.06        1.3234    4   4  10         8
                71.26          5.00        1.3234    0   8  10         4
                73.34          2.23        1.2909    2   2  20         8
                73.34          1.13        1.2909    0   4  20         4
                81.94          1.39        1.1757    4   4  15         8
                88.29          1.23        1.1069    6   2   5         8
                88.29          1.19        1.1069    4   8   5         8
                88.29          1.27        1.1069    2  10   5         8
                88.86          3.80        1.1012    4   0  20         4
                88.86          7.47        1.1012    2   6  20         8
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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.