Pt(NCO)2(C12H12N2)
      Marsh R E
      Acta Crystallographica A50 (1994) 450-455
      The centrosymmetric - noncentrosymmetric ambiguity: some more examples
      _database_code_amcsd 0009332

      CELL PARAMETERS:   18.7220  11.8890   6.6880   90.000   90.000   90.000
      SPACE GROUP: Cmcm      
      X-RAY WAVELENGTH:     1.541838
      Cell Volume:   1488.654
      Density (g/cm3):      2.013
      MAX. ABS. INTENSITY / VOLUME**2:      81.65527353    
      RIR:     13.207
      RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
               2-THETA      INTENSITY    D-SPACING   H   K   L   Multiplicity
                 8.81        100.00       10.0364    1   1   0         4
                 9.45         39.99        9.3610    2   0   0         2
                16.04         21.32        5.5257    3   1   0         4
                17.67          8.51        5.0182    2   2   0         4
                18.96          1.35        4.6805    4   0   0         2
                20.85          2.69        4.2598    3   1   1         8
                22.15          3.35        4.0139    2   2   1         8
                22.94          3.32        3.8771    1   3   0         4
                24.20          7.93        3.6774    4   2   0         4
                24.93          4.70        3.5715    5   1   0         4
                26.57          4.03        3.3542    1   3   1         8
                26.65          1.10        3.3455    3   3   0         4
                26.66         14.24        3.3440    0   0   2         2
                27.68          4.50        3.2224    4   2   1         8
                28.13         12.58        3.1725    1   1   2         8
                28.34          5.96        3.1491    2   0   2         4
                28.61          1.61        3.1203    6   0   0         2
                29.86          5.11        2.9920    3   3   1         8
                31.27          7.58        2.8609    3   1   2         8
                31.58          1.02        2.8329    2   4   0         4
                32.17          3.81        2.7827    2   2   2         8
                32.40          2.68        2.7628    6   2   0         4
                32.91          1.05        2.7217    5   3   0         4
                32.98          1.60        2.7161    0   4   1         4
                34.37          1.91        2.6094    7   1   0         4
                34.38          3.00        2.6085    2   4   1         8
                35.45          2.02        2.5322    1   3   2         8
                35.61          3.03        2.5209    5   3   1         8
                36.31          4.69        2.4741    4   2   2         8
                36.82          3.23        2.4410    5   1   2         8
                38.31          4.08        2.3492    4   4   1         8
                39.50          1.27        2.2814    6   0   2         4
                40.55          1.90        2.2245    1   5   1         8
                40.70          1.27        2.2169    7   3   0         4
                41.47          1.23        2.1776    8   2   0         4
                42.44          2.25        2.1299    6   2   2         8
                42.89          2.78        2.1086    3   5   1         8
                42.98          1.77        2.1043    7   3   1         8
                44.02          1.78        2.0572    7   1   2         8
                44.21          2.88        2.0487    6   4   1         8
                47.28          2.63        1.9225    5   5   1         8
                48.92          1.71        1.8619    2   6   1         8
                49.32          1.22        1.8478    7   3   2         8
                49.98          1.26        1.8248    8   2   2         8
                51.55          1.28        1.7729    8   4   1         8
                55.11          1.08        1.6665    4   4   3         8
                55.74          1.23        1.6493    1   1   4         8
================================================================================
       XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs
  For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.