Hauerite
Diffraction data computed using the structure from the paper listed below, 
along with the cell parameters refined from single crystal data of R070438
      Offner F
      Zeitschrift fur Kristallographie 89 (1934) 182-184
      A redetermination of the parameter for hauerite, MnS2

      CELL PARAMETERS:   6.0910  6.0910  6.0910   90.000   90.000   90.000
      SPACE GROUP: Pa3       

           ATOM        X         Y         Z     OCCUPANCY  ISO(B)
            Mn     0.00000   0.00000   0.00000     1.000     0.700
            S      0.40120   0.40120   0.40120     1.000     1.000

            X-RAY WAVELENGTH:     1.541838
            BOUNDS ON TWO THETA:    0.0  90.0
            LIMITS IMPOSED ON THE INDICES ARE:  +/-  5 +/-  5 +/-  5
            MAX. ABS. INTENSITY / VOLUME**2:      40.40191477    
            The INTENSITY cut off value is   1.00

               2-THETA      INTENSITY    D-SPACING   H   K   L
                25.33         12.49        3.5166    1   1   1
                29.33        100.00        3.0455    2   0   0
                32.88         31.30        2.7240    2   1   0
                36.12         30.56        2.4866    2   1   1
                41.95         45.12        2.1535    2   2   0
                44.63          2.36        2.0303    2   2   1
                49.64         60.74        1.8365    3   1   1
                52.01         12.63        1.7583    2   2   2
                54.30         15.37        1.6893    3   0   2
                56.53         17.65        1.6279    3   2   1
                62.91          1.41        1.4773    4   1   0
                62.91          1.91        1.4773    3   2   2
                64.96          1.67        1.4357    4   1   1
                66.97         12.05        1.3974    3   3   1
                68.95          3.20        1.3620    4   0   2
                68.95          3.20        1.3620    4   2   0
                70.90          2.81        1.3292    4   2   1
                76.64          7.14        1.2433    4   2   2
                78.52          1.84        1.2182    4   3   0
                80.39          2.28        1.1945    4   1   3
                82.24          2.44        1.1722    3   3   3
                82.24         21.68        1.1722    5   1   1
                85.94          4.29        1.1311    4   2   3
                87.77          2.40        1.1121    5   1   2
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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.