Pyrope
Diffraction data computed using the structure from the paper listed below, 
along with the cell parameters refined from the powder pattern of R060441
      Hazen R M, Finger L W
      American Mineralogist 74 (1989) 352-359
      High-pressure crystal chemistry of andradite and pyrope: Revised procedures for
      high-pressure diffraction experiments
      sample in air

      CELL PARAMETERS:  11.5399 11.5399 11.5399   90.000   90.000   90.000
      SPACE GROUP: Ia-3d     

           ATOM        X         Y         Z     OCCUPANCY  ISO(B)
            Si     0.37500   0.00000   0.25000     0.972     0.707
            Al     0.37500   0.00000   0.25000     0.028     0.707
            Al     0.00000   0.00000   0.00000     0.933     0.661
            Mg     0.00000   0.00000   0.00000     0.050     0.661
            Fe     0.00000   0.00000   0.00000     0.005     0.661
            Ti     0.00000   0.00000   0.00000     0.012     0.661
            Mg     0.12500   0.00000   0.25000     0.634     0.975
            Ca     0.12500   0.00000   0.25000     0.130     0.975
            Fe     0.12500   0.00000   0.25000     0.216     0.975
            Mn     0.12500   0.00000   0.25000     0.007     0.975
            O      0.03410   0.04900   0.65300     1.000     0.946

            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:      19.59486184    
            The INTENSITY cut off value is   1.00

               2-THETA      INTENSITY    D-SPACING   H   K   L
                31.00         45.07        2.8850    4   0   0
                34.77        100.00        2.5804    4   2   0
                36.52         16.22        2.4603    3   3   2
                38.21         21.57        2.3556    4   2   2
                39.83         17.83        2.2632    4   3   1
                42.93         13.07        2.1069    5   2   1
                44.41          2.82        2.0400    4   4   0
                48.64         11.03        1.8720    6   1   1
                48.64          8.32        1.8720    5   3   2
                49.99          3.02        1.8246    6   2   0
                55.14         14.31        1.6656    4   4   4
                57.60         33.28        1.6003    6   4   0
                58.80          1.01        1.5704    5   5   2
                59.99         48.60        1.5421    6   4   2
                64.61         10.11        1.4425    8   0   0
                65.74          1.80        1.4205    7   4   1
                67.96          1.23        1.3793    6   5   3
                73.38          9.93        1.2902    8   4   0
                75.51         15.40        1.2591    8   4   2
                76.56          1.31        1.2444    7   6   1
                77.61          7.22        1.2302    6   6   4
                78.66          1.20        1.2164    8   5   1
                78.66          1.34        1.2164    7   5   4
                82.80          1.84        1.1657    9   4   1
                82.80          2.26        1.1657    8   5   3
                85.89          1.47        1.1316   10   2   0
================================================================================
       XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs
  For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.