MoS2
      Wyckoff R W G
      Crystal Structures 1 (1963) 280-281
      Second edition. Interscience Publishers, New York, New York
      _database_code_amcsd 0011827

      CELL PARAMETERS:    3.1600   3.1600  18.4500   90.000   90.000  120.000
      SPACE GROUP: R3m       
      X-RAY WAVELENGTH:     1.541838
      Cell Volume:    159.552
      Density (g/cm3):      4.997
      MAX. ABS. INTENSITY / VOLUME**2:      135.8741513    
      RIR:      8.854
      RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
               2-THETA      INTENSITY    D-SPACING   H   K   L   Multiplicity
                14.40        100.00        6.1500    0   0   3         1
                29.04          1.67        3.0750    0   0   6         1
                33.09         27.87        2.7070    1   0   1         3
                34.18         26.11        2.6236    0   1   2         3
                38.24         34.85        2.3536    1   0   4         3
                41.06         36.55        2.1981    0   1   5         3
                44.18          5.18        2.0500    0   0   9         1
                47.92         22.06        1.8984    1   0   7         3
                51.84         12.78        1.7635    0   1   8         3
                58.41         16.09        1.5800    1   1   0         6
                60.19          4.83        1.5375    0   0  12         1
                60.50         10.61        1.5303    1   1   3         6
                60.52          4.13        1.5298    1   0  10         3
                65.24          3.13        1.4301    0   1  11         3
                66.54          1.02        1.4053    1   1   6         6
                68.80          2.56        1.3646    0   2   1         3
                69.44          2.59        1.3535    2   0   2         3
                71.98          4.16        1.3118    0   2   4         3
                73.87          4.97        1.2830    2   0   5         3
                75.45          1.85        1.2599    1   0  13         3
                76.05          4.93        1.2514    1   1   9         6
                78.81          4.05        1.2144    0   2   7         3
                80.97          1.59        1.1874    0   1  14         3
                81.86          2.74        1.1768    2   0   8         3
                88.79          8.43        1.1019    1   1  12         6
                89.09          1.20        1.0991    0   2  10         3
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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.