Chalcopyrite
      Hall S R, Stewart J M
      Acta Crystallographica B29 (1973) 579-585
      The crystal structure refinement of chalcopyrite, CuFeS2
      _database_code_amcsd 0009476

      CELL PARAMETERS:    5.2890   5.2890  10.4230   90.000   90.000   90.000
      SPACE GROUP: I-42d     
      X-RAY WAVELENGTH:     1.541838
      Cell Volume:    291.568
      Density (g/cm3):      4.180
      MAX. ABS. INTENSITY / VOLUME**2:      108.3153049    
      RIR:      8.437
      RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
               2-THETA      INTENSITY    D-SPACING   H   K   L   Multiplicity
                29.40        100.00        3.0385    1   1   2         4
                33.90          6.06        2.6445    2   0   0         4
                34.42          2.90        2.6058    0   0   4         2
                48.69         18.35        1.8699    2   2   0         4
                49.08         35.74        1.8561    2   0   4         8
                57.91         21.80        1.5925    3   1   2         8
                58.59         10.45        1.5755    1   1   6         4
                60.99          1.73        1.5192    2   2   4         4
                71.33          4.53        1.3223    4   0   0         4
                72.56          2.14        1.3029    0   0   8         2
                78.97          3.45        1.2124    3   3   2         4
                79.56          6.73        1.2049    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.