Andradite
Diffraction data computed using the structure from the paper listed below,
along with the cell parameters refined from single crystal data of R110105
      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
      _database_code_amcsd 0001207

      CELL PARAMETERS:  12.0300 12.0300 12.0300   90.000   90.000   90.000
      SPACE GROUP: Ia-3d     

           ATOM        X         Y         Z     OCCUPANCY  ISO(B)
            Al     0.37500   0.00000   0.25000     1.000     0.540
            Al     0.00000   0.00000   0.00000     1.000     0.570
            Y      0.12500   0.00000   0.25000     1.000     0.660
            O      0.03950   0.04880   0.65560     1.000     0.600

            X-RAY WAVELENGTH:     1.541838
            BOUNDS ON TWO THETA:    5.0  90.0
            LIMITS IMPOSED ON THE INDICES ARE:  +/- 11 +/- 11 +/- 11
            MAX. ABS. INTENSITY / VOLUME**2:      65.54217489    
            The INTENSITY cut off value is   1.00

               2-THETA      INTENSITY    D-SPACING   H   K   L
                18.06         20.98        4.9112    2   1   1
                20.89         10.03        4.2532    2   2   0
                27.75         16.99        3.2152    3   2   1
                29.71         22.10        3.0075    4   0   0
                33.31        100.00        2.6900    4   2   0
                36.59         20.76        2.4556    4   2   2
                38.14          5.47        2.3593    4   3   1
                41.10         20.02        2.1964    5   2   1
                42.51          3.96        2.1266    4   4   0
                46.54         15.28        1.9515    5   3   2
                46.54         11.34        1.9515    6   1   1
                51.52          2.41        1.7737    6   3   1
                52.72         16.42        1.7364    4   4   4
                55.05         26.36        1.6683    6   4   0
                56.19          2.71        1.6371    7   2   1
                56.19          2.39        1.6371    6   3   3
                56.19          2.21        1.6371    5   5   2
                57.31         27.55        1.6076    6   4   2
                60.61          1.38        1.5278    7   3   2
                60.61          2.57        1.5278    6   5   1
                61.68          8.51        1.5037    8   0   0
                69.94          6.04        1.3450    8   4   0
                71.94         18.36        1.3126    8   4   2
                72.92          1.45        1.2972    9   2   1
                73.90          4.39        1.2824    6   6   4
                76.82          1.10        1.2408    7   6   3
                76.82          1.66        1.2408    9   3   2
                81.62          1.72        1.1796    8   6   2
                81.62          1.70        1.1796   10   2   0
                84.46          1.56        1.1470    7   6   5
                87.29          5.70        1.1170   10   4   0
                87.29         10.13        1.1170    8   6   4
                89.17          6.51        1.0982   10   4   2
================================================================================
       XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs
  For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.