Emplectite
Diffraction data computed using the structure from the paper listed below, 
along with the cell parameters refined from single crystal data of R070307
      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:   6.1420  3.9110 14.5150   90.000   90.000   90.000
      SPACE GROUP: Pnma      

           ATOM        X         Y         Z     OCCUPANCY  ISO(B)
            Cu     0.75080   0.75000   0.17210     1.000     2.542
            Bi     0.23150   0.25000   0.06294     1.000     2.140
            S      0.63530   0.25000   0.09760     1.000     2.140
            S      0.12610   0.75000   0.17740     1.000     2.077

            X-RAY WAVELENGTH:     1.541838
            BOUNDS ON TWO THETA:    0.0  90.0
            LIMITS IMPOSED ON THE INDICES ARE:  +/-  5 +/-  3 +/- 13
            MAX. ABS. INTENSITY / VOLUME**2:      140.1066339    
            The INTENSITY cut off value is   1.00

               2-THETA      INTENSITY    D-SPACING   H   K   L
                12.20         43.90        7.2575    0   0   2
                15.67          1.03        5.6564    1   0   1
                18.93         24.20        4.6884    1   0   2
                24.53          4.06        3.6288    0   0   4
                27.73        100.00        3.2169    1   1   1
                28.57         67.28        3.1242    1   0   4
                29.08         46.26        3.0710    2   0   0
                29.36         67.58        3.0416    0   1   3
                29.74          5.30        3.0045    2   0   1
                29.75          1.27        3.0032    1   1   2
                31.64         10.45        2.8282    2   0   2
                32.86          2.58        2.7257    1   1   3
                34.59          3.57        2.5928    2   0   3
                36.82          1.34        2.4410    1   1   4
                37.17          1.93        2.4192    0   0   6
                37.23          1.38        2.4154    2   1   0
                38.63         37.74        2.3310    0   1   5
                39.31          4.09        2.2918    2   1   2
                40.06         10.82        2.2509    1   0   6
                41.80         32.61        2.1610    2   1   3
                46.06          2.08        1.9704    3   0   2
                46.44         16.59        1.9555    0   2   0
                47.87          1.87        1.9004    2   0   6
                48.20          2.64        1.8882    0   2   2
                49.06         27.28        1.8567    2   1   5
                50.29          8.47        1.8144    0   0   8
                50.57          3.43        1.8048    1   2   2
                50.72         23.77        1.7998    3   1   1
                51.23         17.22        1.7831    3   0   4
                52.10         10.87        1.7556    1   1   7
                53.62          2.72        1.7093    2   1   6
                55.43         16.76        1.6576    1   2   4
                55.73         11.32        1.6495    2   2   0
                56.12          1.17        1.6389    2   2   1
                56.74          1.73        1.6224    3   1   4
                57.28          3.27        1.6085    2   2   2
                59.11          1.41        1.5628    3   0   6
                59.14          7.57        1.5621    2   0   8
                59.18          1.11        1.5612    2   2   3
                60.27          2.08        1.5355    4   0   0
                61.75          1.16        1.5022    4   0   2
                62.96          4.47        1.4762    1   2   6
                64.29         10.97        1.4489    1   1   9
                67.48          1.17        1.3880    3   2   2
                68.45          3.01        1.3707    4   1   3
                68.76          4.10        1.3652    3   1   7
                68.90          1.12        1.3628    2   2   6
                70.85          4.59        1.3301    0   2   8
                71.62          9.47        1.3176    3   2   4
                71.95          1.26        1.3123    2   0  10
                73.91          4.03        1.2823    4   1   5
                74.72          3.73        1.2704    1   3   1
                75.53          2.67        1.2588    0   3   3
                78.32          1.00        1.2208    3   2   6
                78.34          5.08        1.2205    2   2   8
                79.34          1.40        1.2077    4   2   0
                79.53          4.62        1.2052    3   1   9
                80.82          2.53        1.1893    0   3   5
                81.02          2.07        1.1868    1   0  12
                82.25          1.53        1.1721    4   0   8
                82.59          3.39        1.1682    5   1   1
                82.89          2.74        1.1647    2   3   3
                82.99          2.44        1.1635    5   0   4
                83.48          1.60        1.1580    2   1  11
                88.08          3.01        1.1090    2   3   5
                89.35          2.88        1.0965    3   3   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.