Pyrope
Diffraction data computed using the structure from the paper listed below, 
along with the cell parameters refined from the powder pattern of R050113
      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:  11.5717 11.5717 11.5717   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     0.711
            Al     0.37500   0.00000   0.25000     0.028     0.711
            Al     0.00000   0.00000   0.00000     0.933     0.664
            Mg     0.00000   0.00000   0.00000     0.050     0.664
            Fe     0.00000   0.00000   0.00000     0.005     0.664
            Ti     0.00000   0.00000   0.00000     0.012     0.664
            Mg     0.12500   0.00000   0.25000     0.634     0.980
            Ca     0.12500   0.00000   0.25000     0.130     0.980
            Fe     0.12500   0.00000   0.25000     0.216     0.980
            Mn     0.12500   0.00000   0.25000     0.007     0.980
            O      0.03410   0.04900   0.65300     1.000     0.952

            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:      19.42949883    
            The INTENSITY cut off value is   1.00

               2-THETA      INTENSITY    D-SPACING   H   K   L
                30.91         45.07        2.8929    4   0   0
                34.67        100.00        2.5875    4   2   0
                36.42         16.25        2.4671    3   3   2
                38.10         21.55        2.3621    4   2   2
                39.72         17.87        2.2694    4   3   1
                42.80         13.10        2.1127    5   2   1
                44.28          2.82        2.0456    4   4   0
                48.50         11.06        1.8772    6   1   1
                48.50          8.34        1.8772    5   3   2
                49.84          3.03        1.8296    6   2   0
                54.98         14.34        1.6702    4   4   4
                57.42         33.35        1.6047    6   4   0
                58.62          1.01        1.5747    5   5   2
                59.81         48.70        1.5463    6   4   2
                64.41         10.12        1.4465    8   0   0
                65.54          1.81        1.4244    7   4   1
                67.75          1.23        1.3831    6   5   3
                73.15          9.94        1.2938    8   4   0
                75.26         15.42        1.2626    8   4   2
                76.31          1.31        1.2478    7   6   1
                77.36          7.23        1.2335    6   6   4
                78.40          1.21        1.2198    8   5   1
                78.40          1.35        1.2198    7   5   4
                82.53          2.27        1.1689    8   5   3
                82.53          1.84        1.1689    9   4   1
                85.59          1.48        1.1347   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.