Spherocobaltite
Diffraction data computed using the structure from the paper listed below, along with the cell parameters refined from single crystal data of R140388
      Graf D L
      American Mineralogist 46 (1961) 1283-1316
      Crystallographic tables for the rhombohedral carbonates
      _database_code_amcsd 0000104

      CELL PARAMETERS:   4.6450  4.6450 14.9880   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:      51.60782211    
            The INTENSITY cut off value is   1.00

               2-THETA      INTENSITY    D-SPACING   H   K   L
                25.13         41.82        3.5443    0   1   2
                32.66        100.00        2.7418    1   0   4
                38.77         22.99        2.3225    1   1   0
                42.94         15.50        2.1061    1   1   3
                46.76         20.34        1.9426    2   0   2
                51.57         11.55        1.7722    0   2   4
                53.90         29.11        1.7009    1   1   6
                53.99         18.74        1.6983    0   1   8
                61.28          1.55        1.5127    2   1   1
                62.31         13.14        1.4901    1   2   2
                66.35         10.80        1.4089    2   1   4
                66.58          2.71        1.4045    1   0  10
                68.44          4.35        1.3709    2   0   8
                69.45          1.95        1.3534    1   1   9
                70.19         10.17        1.3409    3   0   0
                76.23          3.22        1.2490    0   0  12
                79.80          2.94        1.2018    0   2  10
                81.54          5.41        1.1806    1   2   8
                88.99          3.33        1.1000    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.