Spherocobaltite
Diffraction data computed using the structure from the paper listed below, 
along with the cell parameters refined from single crystal data of R060497

      Graf D L
      American Mineralogist 46 (1961) 1283-1316
      Crystallographic tables for the rhombohedral carbonates
      _database_code_amcsd 0000104

      CELL PARAMETERS:   4.6560  4.6560 15.0240   90.000   90.000  120.000
      SPACE GROUP: R-3c      

           ATOM        X         Y         Z     OCCUPANCY  ISO(B)
            Co     0.00000   0.00000   0.00000     1.000     0.700
            C      0.00000   0.00000   0.25000     1.000     0.300
            O      0.27610   0.00000   0.25000     1.000     1.000

            X-RAY WAVELENGTH:     1.541838
            BOUNDS ON TWO THETA:    5.0  90.0
            LIMITS IMPOSED ON THE INDICES ARE:  +/-  3 +/-  3 +/- 13
            MAX. ABS. INTENSITY / VOLUME**2:      51.25218804    
            The INTENSITY cut off value is   1.00

               2-THETA      INTENSITY    D-SPACING   H   K   L
                25.06         41.75        3.5528    0   1   2
                32.58        100.00        2.7484    1   0   4
                38.68         22.99        2.3280    1   1   0
                42.84         15.54        2.1111    1   1   3
                46.65         20.36        1.9472    2   0   2
                51.44         11.57        1.7764    0   2   4
                53.76         29.17        1.7050    1   1   6
                53.85         18.78        1.7024    0   1   8
                61.12          1.56        1.5163    2   1   1
                62.15         13.17        1.4936    1   2   2
                66.17         10.82        1.4122    2   1   4
                66.40          2.72        1.4078    1   0  10
                68.25          4.36        1.3742    2   0   8
                69.26          1.96        1.3566    1   1   9
                70.00         10.21        1.3441    3   0   0
                76.01          3.23        1.2520    0   0  12
                79.57          2.95        1.2047    0   2  10
                81.30          5.42        1.1834    1   2   8
                88.72          3.33        1.1027    1   1  12
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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.