Pyrope
Diffraction data computed using the structure from the paper listed below, 
along with the cell parameters refined from the powder pattern of R050112
      Novak G A, Meyer H O A
      American Mineralogist 55 (1970) 2124-2127
      Refinement of the crystal structure of a chrome pyrope garnet: An inclusion in
      natural diamond

      CELL PARAMETERS:  11.5306 11.5306 11.5306   90.000   90.000   90.000
      SPACE GROUP: Ia-3d     

           ATOM        X         Y         Z     OCCUPANCY  ISO(B)
            Mg     0.00000   0.25000   0.12500     0.875     0.644
            Fe     0.00000   0.25000   0.12500     0.089     0.644
            Ca     0.00000   0.25000   0.12500     0.030     0.644
            Mn     0.00000   0.25000   0.12500     0.005     0.644
            Al     0.00000   0.00000   0.00000     0.670     0.308
            Cr     0.00000   0.00000   0.00000     0.286     0.308
            Fe     0.00000   0.00000   0.00000     0.044     0.308
            Si     0.00000   0.25000   0.37500     0.996     0.339
            Al     0.00000   0.25000   0.37500     0.004     0.339
            O      0.03346   0.05070   0.65366     1.000     0.686

            X-RAY WAVELENGTH:     1.541838
            BOUNDS ON TWO THETA:    5.0  90.0
            LIMITS IMPOSED ON THE INDICES ARE:  +/- 10 +/- 10 +/- 10
            MAX. ABS. INTENSITY / VOLUME**2:      16.05151204    
            The INTENSITY cut off value is   1.00

               2-THETA      INTENSITY    D-SPACING   H   K   L
                18.85          2.89        4.7073    2   1   1
                21.80          8.72        4.0767    2   2   0
                28.97          2.97        3.0817    3   2   1
                31.02         65.81        2.8826    4   0   0
                34.80        100.00        2.5783    4   2   0
                36.55         26.80        2.4583    3   3   2
                38.24         40.22        2.3537    4   2   2
                39.87         22.30        2.2613    4   3   1
                42.96         12.55        2.1052    5   2   1
                48.68         11.47        1.8705    6   1   1
                48.68          7.64        1.8705    5   3   2
                50.03          9.85        1.8231    6   2   0
                53.93          1.04        1.7001    6   3   1
                55.19         11.30        1.6643    4   4   4
                57.65         39.91        1.5990    6   4   0
                60.04         74.93        1.5408    6   4   2
                63.53          1.54        1.4644    7   3   2
                64.67         13.24        1.4413    8   0   0
                65.80          2.23        1.4193    7   4   1
                68.03          2.14        1.3782    6   5   3
                69.13          1.18        1.3589    8   2   2
                72.38          1.01        1.3056    7   5   2
                73.45         15.42        1.2892    8   4   0
                75.58         17.48        1.2581    8   4   2
                76.64          2.34        1.2434    7   6   1
                77.69         11.47        1.2292    6   6   4
                78.73          1.58        1.2154    8   5   1
                78.73          1.91        1.2154    7   5   4
                82.88          2.33        1.1648    9   4   1
                82.88          2.94        1.1648    8   5   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.