CS2
      Gibbs G V, Boisen M B, Downs R T, Lasaga A C
      Materials Research Society Symposia Proceedings 121 (1988) 155-165
      Mathematical Modeling of the structures and bulk moduli of TX2 quartz
      and cristobalite structure types, T = C, Si, Ge and X = O, S
      Locality: theoretical, quartz structure
      _database_code_amcsd 0018752

      CELL PARAMETERS:    5.2320   5.2320   5.3070   90.000   90.000  120.000
      SPACE GROUP: P3_221    
      X-RAY WAVELENGTH:     1.541838
      Cell Volume:    125.810
      Density (g/cm3):      3.014
      MAX. ABS. INTENSITY / VOLUME**2:      23.29759141    
      RIR:      2.517
      RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
               2-THETA      INTENSITY    D-SPACING   H   K   L   Multiplicity
                19.59         18.75        4.5310    1   0   0         6
                25.86         27.37        3.4459    0   1   1         6
                25.86          6.30        3.4459    1   0   1         6
                34.28        100.00        2.6160    1   1   0         3
                38.36         15.09        2.3464    1   1   1         6
                39.35         58.83        2.2897    0   1   2         6
                39.35          1.36        2.2897    1   0   2         6
                39.79          6.59        2.2655    2   0   0         6
                43.43          3.95        2.0836    2   0   1         6
                43.43          3.40        2.0836    0   2   1         6
                48.89          4.79        1.8629    1   1   2         6
                51.67          6.63        1.7690    0   0   3         2
                53.16         20.86        1.7230    2   0   2         6
                53.51          2.68        1.7126    2   1   0         6
                55.79          1.80        1.6479    0   1   3         6
                56.46          5.60        1.6298    1   2   1         6
                56.46          2.99        1.6298    2   1   1         6
                61.38          8.85        1.5103    3   0   0         6
                63.48          8.42        1.4654    1   1   3         6
                64.10         10.03        1.4527    0   3   1         6
                64.10          1.83        1.4527    3   0   1         6
                64.79         16.87        1.4389    1   2   2         6
                67.13          2.26        1.3943    2   0   3         6
                71.93          5.27        1.3126    3   0   2         6
                72.23          2.91        1.3080    2   2   0         3
                74.52          4.56        1.2733    1   0   4         6
                74.75          5.67        1.2700    2   2   1         6
                75.68          1.17        1.2567    3   1   0         6
                77.59          4.05        1.2304    1   2   3         6
                77.59          1.34        1.2304    2   1   3         6
                78.16          4.42        1.2229    3   1   1         6
                82.16          3.17        1.1732    2   2   2         6
                84.31          1.20        1.1486    0   3   3         6
                84.31          1.22        1.1486    3   0   3         6
                84.65          1.72        1.1449    0   2   4         6
                85.50          2.70        1.1358    3   1   2         6
                85.78          1.03        1.1328    4   0   0         6
================================================================================
       XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs
  For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.