Greenockite
Diffraction data computed using the structure from the paper listed below, 
along with the cell parameters refined from single crystal data of R070017
      Wyckoff R W G
      Crystal Structures 1 (1963) 85-237
      Second edition. Interscience Publishers, New York, New York
      Note: wurtzite structure

      CELL PARAMETERS:   4.0790  4.0790  6.6300   90.000   90.000  120.000
      SPACE GROUP: P6_3mc    

           ATOM        X         Y         Z     OCCUPANCY  ISO(B)
            Cd     0.33333   0.66667   0.00000     1.000     1.000
            S      0.33333   0.66667   0.38500     1.000     1.000

            X-RAY WAVELENGTH:     1.541838
            BOUNDS ON TWO THETA:    0.0  90.0
            LIMITS IMPOSED ON THE INDICES ARE:  +/-  3 +/-  3 +/-  6
            MAX. ABS. INTENSITY / VOLUME**2:      122.7776272    
            The INTENSITY cut off value is   1.00

               2-THETA      INTENSITY    D-SPACING   H   K   L
                25.21         61.50        3.5325    1   0   0
                26.90         47.57        3.3150    0   0   2
                28.63        100.00        3.1176    1   0   1
                37.19         28.49        2.4173    1   0   2
                44.42         46.51        2.0395    1   1   0
                48.59         44.09        1.8736    1   0   3
                51.76          6.95        1.7663    2   0   0
                52.69         36.91        1.7371    1   1   2
                53.70         15.11        1.7067    2   0   1
                55.43          2.47        1.6575    0   0   4
                59.28          6.11        1.5588    2   0   2
                61.83          2.52        1.5005    1   0   4
                67.94         13.67        1.3797    2   0   3
                70.54          4.69        1.3352    2   1   0
                72.17         10.63        1.3089    2   1   1
                73.65          5.41        1.2863    1   1   4
                76.78         10.20        1.2414    1   0   5
                76.99          4.92        1.2385    2   1   2
                79.26          1.06        1.2087    2   0   4
                81.79          5.79        1.1775    3   0   0
                84.84         13.30        1.1428    2   1   3
                88.02          6.63        1.1096    3   0   2
================================================================================
       XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs
  For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.