Tellurobismuthite
Diffraction data computed using the structure from the paper listed below,
along with the cell parameters refined from single crystal data of R060948
      Nakajima S
      Journal of Physics and Chemistry of Solids 24 (1963) 479-485
      The crystal structure of Bi2Te3-xSex
      Locality: synthetic

      CELL PARAMETERS:   4.4060  4.4060 30.3600   90.000   90.000  120.000
      SPACE GROUP: R-3m      

           ATOM        X         Y         Z     OCCUPANCY  ISO(B)
            Bi     0.00000   0.00000   0.40000     1.000     1.500
            Te     0.00000   0.00000   0.00000     1.000     1.500
            Te     0.00000   0.00000   0.20950     1.000     1.500

            X-RAY WAVELENGTH:     1.541838
            BOUNDS ON TWO THETA:    0.0  90.0
            LIMITS IMPOSED ON THE INDICES ARE:  +/-  3 +/-  3 +/- 27
            MAX. ABS. INTENSITY / VOLUME**2:      479.7785397    
            The INTENSITY cut off value is   1.00

               2-THETA      INTENSITY    D-SPACING   H   K   L
                 8.74          4.70       10.1200    0   0   3
                17.53          8.04        5.0600    0   0   6
                23.50          5.33        3.7859    1   0   1
                26.14          1.18        3.4091    1   0   4
                27.61        100.00        3.2308    0   1   5
                33.30          1.98        2.6908    0   1   8
                37.87         37.73        2.3757    1   0  10
                40.33          4.98        2.2363    0   1  11
                40.97         33.21        2.2030    1   1   0
                44.78          6.53        2.0240    0   0  15
                44.87          4.16        2.0199    1   1   6
                45.54          1.72        1.9919    1   0  13
                50.12         16.87        1.8201    2   0   5
                53.97          2.90        1.6990    1   0  16
                57.01          9.98        1.6154    0   2  10
                58.84          1.47        1.5694    2   0  11
                62.29         12.72        1.4905    1   1  15
                66.26          4.23        1.4105    0   1  20
                66.65         12.41        1.4032    1   2   5
                69.92          1.17        1.3454    0   2  16
                70.29          1.37        1.3392    1   1  18
                72.57          8.45        1.3027    2   1  10
                74.19          1.31        1.2782    1   2  11
                74.62          4.27        1.2719    3   0   0
                79.26          1.97        1.2087    1   1  21
                80.93          2.12        1.1879    2   0  20
                83.55          1.52        1.1572    1   0  25
                84.35          1.26        1.1482    2   1  16
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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.