Andradite
      Diffraction data computed using the structure from the paper listed below, 
      along with the cell parameters refined from single crystal data of R100049
      Armbruster T, Geiger C A
      European Journal of Mineralogy 5 (1993) 59-71
      Andradite crystal chemistry, dynamic X-site disorder
      and structural strain in silicate garnets
      Sample: T = 293K
      AMCSD#0006413

      CELL PARAMETERS:  12.0560 12.0560 12.0560   90.000   90.000   90.000
      SPACE GROUP: Ia-3d     

           ATOM        X         Y         Z     OCCUPANCY  ISO(B)
            Ca     0.00000   0.25000   0.12500     1.000     0.433
            Fe     0.00000   0.00000   0.00000     1.000     0.267
            Si     0.37500   0.00000   0.25000     1.000     0.267
            O      0.03934   0.04860   0.65534     1.000     0.425

            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:      23.56695924    
            The INTENSITY cut off value is   1.00

               2-THETA      INTENSITY    D-SPACING   H   K   L
                20.84         25.05        4.2624    2   2   0
                29.64         75.73        3.0140    4   0   0
                33.23        100.00        2.6958    4   2   0
                34.91          9.08        2.5703    3   3   2
                36.51         77.18        2.4609    4   2   2
                38.06         15.34        2.3644    4   3   1
                41.00         13.48        2.2011    5   2   1
                46.43         11.22        1.9557    5   3   2
                46.43         11.53        1.9557    6   1   1
                47.71         15.60        1.9062    6   2   0
                52.59          5.82        1.7401    4   4   4
                54.92         28.30        1.6719    6   4   0
                57.18         89.64        1.6111    6   4   2
                61.54         13.89        1.5070    8   0   0
                62.60          1.79        1.4840    7   4   1
                65.72          2.99        1.4208    8   2   2
                69.77         19.56        1.3479    8   4   0
                71.76         17.25        1.3154    8   4   2
                73.72         14.28        1.2852    6   6   4
                74.69          1.08        1.2708    7   5   4
                74.69          1.08        1.2708    8   5   1
                77.59          1.63        1.2305    8   4   4
                78.55          1.78        1.2178    8   5   3
                78.55          1.85        1.2178    9   4   1
                87.06          5.69        1.1194   10   4   0
                87.06          9.26        1.1194    8   6   4
                88.93         20.72        1.1006   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.