Millerite
Diffraction data computed using the structute from the paper listed below,
along with the cell parameters refined from single crystal data of R070323
      Grice J D, Ferguson R B
      The Canadian Mineralogist 12 (1974) 248-252
      Crystal structure refinement of millerite (B-NiS)

      CELL PARAMETERS:   9.6040  9.6040  3.1450   90.000   90.000  120.000
      SPACE GROUP: R3m       

           ATOM        X         Y         Z     OCCUPANCY  ISO(B)
            Ni     0.91225  -0.91225   0.47546     1.000     4.422
            S      0.11224  -0.11224   0.00000     1.000     5.211

            X-RAY WAVELENGTH:     1.541838
            BOUNDS ON TWO THETA:    0.0  90.0
            LIMITS IMPOSED ON THE INDICES ARE:  +/-  7 +/-  7 +/-  2
            MAX. ABS. INTENSITY / VOLUME**2:      33.68167497    
            The INTENSITY cut off value is   1.00

               2-THETA      INTENSITY    D-SPACING   H   K   L
                18.48         75.20        4.8020    1   1   0
                30.39         55.65        2.9417    1   0   1
                32.29        100.00        2.7724    3   0   0
                35.80         57.78        2.5084    0   2   1
                37.46         12.10        2.4010    2   2   0
                40.58         46.22        2.2234    2   1   1
                48.97         80.32        1.8601    1   3   1
                50.27         34.68        1.8150    4   1   0
                52.78         34.49        1.7345    4   0   1
                56.40         10.43        1.6313    3   2   1
                57.58         18.29        1.6007    3   3   0
                59.86         16.05        1.5451    0   1   2
                63.24          1.53        1.4704    0   5   1
                66.48          2.14        1.4064    1   2   2
                67.58          3.13        1.3862    6   0   0
                70.74          1.98        1.3318    5   2   0
                72.79          6.16        1.2993    3   1   2
                75.85          3.65        1.2542    0   4   2
                75.87          3.90        1.2540    4   3   1
                78.88          1.09        1.2135    2   3   2
                79.91          1.08        1.2005    4   4   0
                81.90          2.36        1.1763    1   6   1
                84.85          2.05        1.1427    5   0   2
                87.81          1.45        1.1117    4   2   2
                87.83          2.63        1.1115    7   0   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.