Chalcopyrite
      Knight K S, Marshall W G, Zochowski S W
      The Canadian Mineralogist 49 (2011) 1015-1034
      The low-temperature and high-pressure thermoelastic and
      structural properties of chalcopyrite, CuFeS2
      T = 4.2 K
      Locality: Palabora mine, South Africa
      _database_code_amcsd 0018623

      CELL PARAMETERS:    5.2856   5.2856  10.4192   90.000   90.000   90.000
      SPACE GROUP: I-42d     
      X-RAY WAVELENGTH:     1.541838
      Cell Volume:    291.090
      Density (g/cm3):      4.187
      MAX. ABS. INTENSITY / VOLUME**2:      113.2806249    
      RIR:      8.809
      RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
               2-THETA      INTENSITY    D-SPACING   H   K   L   Multiplicity
                29.41        100.00        3.0368    1   1   2         4
                33.92          6.26        2.6428    2   0   0         4
                34.43          3.02        2.6048    0   0   4         2
                48.73         19.62        1.8688    2   2   0         4
                49.11         38.26        1.8552    2   0   4         8
                57.94         24.44        1.5916    3   1   2         8
                58.62         11.75        1.5748    1   1   6         4
                61.02          2.09        1.5184    2   2   4         4
                71.38          5.41        1.3214    4   0   0         4
                72.59          2.56        1.3024    0   0   8         2
                79.02          4.33        1.2117    3   3   2         4
                79.61          8.46        1.2042    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.