Chalcostibite
Diffraction data computed using the structute from the paper listed below,
along with the cell parameters refined from single crystal data of R060262
      Kyono A, Kimata M
      American Mineralogist 90 (2005) 162-165
      Crystal structures of chalcostibite (CuSbS2) and emplectite (CuBiS2): Structural
      relationship of stereochemical activity between chalcostibite and emplectite

      CELL PARAMETERS:   6.0220  3.7970 14.5000   90.000   90.000   90.000
      SPACE GROUP: Pnma      

           ATOM        X         Y         Z     OCCUPANCY  ISO(B)
            Cu     0.74780   0.75000   0.17240     1.000     2.369
            Sb     0.22600   0.25000   0.06333     1.000     1.903
            S      0.62210   0.25000   0.09500     1.000     1.808
            S      0.12940   0.75000   0.17560     1.000     1.824

            X-RAY WAVELENGTH:     1.541838
            BOUNDS ON TWO THETA:    5.0  90.0
            LIMITS IMPOSED ON THE INDICES ARE:  +/-  5 +/-  3 +/- 13
            MAX. ABS. INTENSITY / VOLUME**2:      51.39487917    
            The INTENSITY cut off value is   1.00

               2-THETA      INTENSITY    D-SPACING   H   K   L
                12.21         22.43        7.2500    0   0   2
                19.16          7.63        4.6324    1   0   2
                24.23          4.09        3.6732    0   1   1
                24.56         12.24        3.6250    0   0   4
                28.46        100.00        3.1358    1   1   1
                28.75         80.40        3.1057    1   0   4
                29.67         61.10        3.0110    2   0   0
                29.93         87.96        2.9858    0   1   3
                30.32         14.16        2.9481    2   0   1
                30.44          5.09        2.9366    1   1   2
                32.19          4.71        2.7807    2   0   2
                34.32          2.40        2.6128    1   0   5
                35.11          7.86        2.5557    2   0   3
                37.41          1.85        2.4040    1   1   4
                38.15          1.97        2.3592    2   1   0
                38.88          1.18        2.3162    2   0   4
                39.08         56.59        2.3047    0   1   5
                40.20          9.40        2.2434    2   1   2
                40.21         10.28        2.2428    1   0   6
                42.64         30.71        2.1201    2   1   3
                45.62          1.58        1.9884    3   0   1
                47.92         25.03        1.8985    0   2   0
                49.64          1.16        1.8366    0   2   2
                49.83         34.29        1.8301    2   1   5
                50.17          4.29        1.8184    0   1   7
                50.34         12.45        1.8125    0   0   8
                51.91         30.55        1.7615    3   1   1
                52.06          1.01        1.7567    1   2   2
                52.08         24.95        1.7561    3   0   4
                52.57          8.59        1.7408    1   1   7
                54.34          7.42        1.6882    2   1   6
                54.57          1.72        1.6818    0   2   4
                55.13          2.35        1.6659    3   1   3
                56.84         17.71        1.6198    1   2   4
                57.38         13.57        1.6059    2   2   0
                57.76          2.97        1.5962    2   2   1
                57.85          2.79        1.5939    3   1   4
                58.90          1.42        1.5679    2   2   2
                59.53          9.66        1.5529    2   0   8
                60.78          2.27        1.5240    2   2   3
                61.60          1.63        1.5055    4   0   0
                64.28          3.89        1.4491    1   2   6
                64.73         13.67        1.4401    1   1   9
                68.25          1.12        1.3741    4   1   2
                69.78          3.51        1.3477    3   1   7
                69.93          1.29        1.3453    3   0   8
                69.99          1.58        1.3443    4   1   3
                72.04          6.21        1.3110    0   2   8
                72.33          1.33        1.3064    2   0  10
                73.45         12.96        1.2891    3   2   4
                75.42          3.57        1.2604    4   1   5
                77.32          3.22        1.2341    1   3   1
                78.05          3.08        1.2244    0   3   3
                79.79          6.06        1.2020    2   2   8
                80.52          5.72        1.1929    3   1   9
                81.19          2.39        1.1847    1   0  12
                83.30          3.37        1.1600    0   3   5
                83.47          1.41        1.1581    4   0   8
                84.12          1.05        1.1507    2   1  11
                84.69          3.59        1.1444    5   1   1
                84.83          3.10        1.1430    5   0   4
                85.64          2.35        1.1342    2   3   3
                85.67          1.87        1.1339    5   1   2
                89.23          1.02        1.0976    3   2   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.