Grossular
Diffraction data computed using the structure from the paper listed below, 
along with the cell parameters refined from the powder pattern of R050036
      Hazen R M, Finger L W
      American Mineralogist 63 (1978) 297-303
      Crystal structures and compressibilities of pyrope and grossular to 60 kbar
      P = 1 bar
      Locality: Georgetown, California, USA

      CELL PARAMETERS:  11.8851 11.8851 11.8851   90.000   90.000   90.000
      SPACE GROUP: Ia-3d     

           ATOM        X         Y         Z     OCCUPANCY  ISO(B)
            Ca     0.12500   0.00000   0.25000     1.000     0.330
            Al     0.00000   0.00000   0.00000     1.000     0.250
            Si     0.37500   0.00000   0.25000     1.000     0.290
            O      0.03800   0.04500   0.65180     1.000     0.350

            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:      25.38500198    
            The INTENSITY cut off value is   1.00

               2-THETA      INTENSITY    D-SPACING   H   K   L
                30.08         36.04        2.9713    4   0   0
                33.73        100.00        2.6576    4   2   0
                35.42          6.90        2.5339    3   3   2
                37.06         18.35        2.4260    4   2   2
                38.63         14.32        2.3309    4   3   1
                41.62         13.07        2.1699    5   2   1
                43.05          3.14        2.1010    4   4   0
                47.14         10.17        1.9280    5   3   2
                47.14         11.45        1.9280    6   1   1
                48.44          1.49        1.8792    6   2   0
                53.41         15.07        1.7155    4   4   4
                55.78         25.97        1.6482    6   4   0
                56.93          1.17        1.6174    5   5   2
                58.08         41.37        1.5882    6   4   2
                62.52          9.58        1.4856    8   0   0
                63.60          1.72        1.4630    7   4   1
                70.92          9.54        1.3288    8   4   0
                72.95         16.68        1.2968    8   4   2
                74.96          6.70        1.2670    6   6   4
                75.96          1.05        1.2528    8   5   1
                79.90          1.89        1.2006    9   4   1
                79.90          2.05        1.2006    8   5   3
                82.83          1.82        1.1654   10   2   0
                88.63          9.54        1.1035    8   6   4
                88.63          5.68        1.1035   10   4   0
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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.