Chalcopyrite
      Pauling L, Brockway L
      Zeitschrift fur Kristallographie 82 (1932) 188-194
      The Crystal Structure of Chalkopyrite Cu Fe S2
      _cod_database_code 1010940
      _database_code_amcsd 0017661

      CELL PARAMETERS:    5.2400   5.2400  10.3000   90.000   90.000   90.000
      SPACE GROUP: I-42d     
      X-RAY WAVELENGTH:     1.541838
      Cell Volume:    282.813
      Density (g/cm3):      4.310
      MAX. ABS. INTENSITY / VOLUME**2:      114.0270920    
      RIR:      8.615
      RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
               2-THETA      INTENSITY    D-SPACING   H   K   L   Multiplicity
                29.70        100.00        3.0077    1   1   2         4
                34.22          6.63        2.6200    2   0   0         4
                34.84          3.07        2.5750    0   0   4         2
                49.18         18.51        1.8526    2   2   0         4
                49.64         36.23        1.8365    2   0   4         8
                58.51         22.77        1.5774    3   1   2         8
                59.33         10.96        1.5576    1   1   6         4
                61.68          2.21        1.5038    2   2   4         4
                72.10          4.70        1.3100    4   0   0         4
                73.56          2.29        1.2875    0   0   8         2
                79.86          3.78        1.2010    3   3   2         4
                80.57          7.43        1.1922    3   1   6         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.