Pyrope
Diffraction data computed using the structure from the paper listed below, 
along with the cell parameters refined from the powder pattern of R060448
      Novak G A, Gibbs G V
      American Mineralogist 56 (1971) 791-825
      The crystal chemistry of the silicate garnets
      sample Cr-Py

      CELL PARAMETERS:  11.5268 11.5268 11.5268   90.000   90.000   90.000
      SPACE GROUP: Ia-3d     

           ATOM        X         Y         Z     OCCUPANCY  ISO(B)
            Si     0.37500   0.00000   0.25000     1.000     0.315
            Al     0.00000   0.00000   0.00000     0.670     0.314
            Cr     0.00000   0.00000   0.00000     0.330     0.314
            Mg     0.12500   0.00000   0.25000     0.880     0.645
            Fe     0.12500   0.00000   0.25000     0.120     0.645
            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:      16.33825785    
            The INTENSITY cut off value is   1.00

               2-THETA      INTENSITY    D-SPACING   H   K   L
                18.86          2.58        4.7058    2   1   1
                21.81          7.98        4.0753    2   2   0
                28.98          2.70        3.0807    3   2   1
                31.03         64.70        2.8817    4   0   0
                34.81        100.00        2.5775    4   2   0
                36.56         26.01        2.4575    3   3   2
                38.25         39.51        2.3529    4   2   2
                39.88         21.93        2.2606    4   3   1
                42.98         12.60        2.1045    5   2   1
                48.70         11.42        1.8699    6   1   1
                48.70          7.68        1.8699    5   3   2
                50.05          9.34        1.8225    6   2   0
                55.21         11.48        1.6638    4   4   4
                57.67         39.77        1.5985    6   4   0
                60.06         73.57        1.5403    6   4   2
                63.55          1.47        1.4639    7   3   2
                64.69         13.13        1.4409    8   0   0
                65.82          2.19        1.4189    7   4   1
                68.05          2.06        1.3777    6   5   3
                69.15          1.08        1.3584    8   2   2
                73.48         15.14        1.2887    8   4   0
                75.61         17.53        1.2577    8   4   2
                76.67          2.27        1.2430    7   6   1
                77.72         11.26        1.2288    6   6   4
                78.76          1.56        1.2150    8   5   1
                78.76          1.88        1.2150    7   5   4
                82.92          2.29        1.1644    9   4   1
                82.92          2.89        1.1644    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.