Gersdorffite-P213
Diffraction data computed using the structure from the paper listed below,
along with the cell parameters refined from single crystal data of R070341
      Bayliss P, Stephenson N C
      Mineralogical Magazine 36 (1967) 38-42
      The crystal structure of gersdorffite
      Locality: Wolfsberg, Harz, Germany
      _database_code_amcsd 0014444

      CELL PARAMETERS:   5.6880  5.6880  5.6880   90.000   90.000   90.000
      SPACE GROUP: P2_13     

           ATOM        X         Y         Z     OCCUPANCY  ISO(B)
            Ni    -0.00650  -0.00650  -0.00650     1.000     1.400
            S      0.38250   0.38250   0.38250     1.000     1.000
            S      0.61640   0.61640   0.61640     0.180     1.600
            As     0.61640   0.61640   0.61640     0.820     1.600

            X-RAY WAVELENGTH:     1.541838
            BOUNDS ON TWO THETA:    5.0  90.0
            LIMITS IMPOSED ON THE INDICES ARE:  +/-  5 +/-  5 +/-  5
            MAX. ABS. INTENSITY / VOLUME**2:      63.02579844    
            The INTENSITY cut off value is   1.00

               2-THETA      INTENSITY    D-SPACING   H   K   L
                22.10         13.07        4.0220    1   1   0
                27.15         15.48        3.2840    1   1   1
                31.46         71.71        2.8440    2   0   0
                35.28         82.12        2.5438    2   1   0
                35.28         17.88        2.5438    2   0   1
                38.78         68.28        2.3221    2   1   1
                45.08         35.62        2.0110    2   2   0
                47.98          1.58        1.8960    2   2   1
                50.76          1.47        1.7987    3   0   1
                50.76          1.15        1.7987    3   1   0
                53.43         87.78        1.7150    3   1   1
                56.00         13.83        1.6420    2   2   2
                58.51         21.50        1.5776    3   0   2
                60.94         21.33        1.5202    3   2   1
                60.94          9.03        1.5202    3   1   2
                65.66          1.44        1.4220    4   0   0
                70.20          1.70        1.3407    4   1   1
                72.42          4.59        1.3049    3   3   1
                74.62          3.57        1.2719    4   0   2
                74.62          3.57        1.2719    4   2   0
                76.79         11.17        1.2412    4   2   1
                78.95          5.27        1.2127    3   3   2
                83.21          6.72        1.1611    4   2   2
                87.43          1.29        1.1155    4   3   1
                89.54          3.43        1.0947    3   3   3
                89.54         17.75        1.0947    5   1   1
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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.