Andradite
Diffraction data computed using the structure from the paper listed below, 
along with the cell parameters refined from the powder pattern of R040001
      Novak G A, Gibbs G V
      American Mineralogist 56 (1971) 791-823
      The crystal chemistry of the silicate garnets
      sample An

      CELL PARAMETERS:  12.0630 12.0630 12.0630   90.000   90.000   90.000
      SPACE GROUP: Ia-3d     

           ATOM        X         Y         Z     OCCUPANCY  ISO(B)
            Si     0.37500   0.00000   0.25000     1.000     0.549
            Fe     0.00000   0.00000   0.00000     1.000     0.390
            Ca     0.12500   0.00000   0.25000     1.000     1.696
            O      0.03986   0.04885   0.65555     1.000     0.559

            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:      22.16711743    
            The INTENSITY cut off value is   1.00

               2-THETA      INTENSITY    D-SPACING   H   K   L
                20.83         26.76        4.2649    2   2   0
                29.62         77.97        3.0157    4   0   0
                33.21        100.00        2.6974    4   2   0
                34.89         10.35        2.5718    3   3   2
                36.49         79.37        2.4623    4   2   2
                38.04         16.20        2.3657    4   3   1
                40.98         12.85        2.2024    5   2   1
                46.40         10.75        1.9569    5   3   2
                46.40         11.22        1.9569    6   1   1
                47.68         17.38        1.9073    6   2   0
                52.56          4.75        1.7411    4   4   4
                54.88         26.04        1.6728    6   4   0
                57.14         89.06        1.6120    6   4   2
                61.50         12.48        1.5079    8   0   0
                62.56          1.82        1.4849    7   4   1
                64.65          1.37        1.4418    6   5   3
                65.68          3.64        1.4216    8   2   2
                69.72         18.82        1.3487    8   4   0
                71.71         14.42        1.3162    8   4   2
                72.69          1.26        1.3008    7   6   1
                73.67         13.42        1.2859    6   6   4
                74.64          1.09        1.2716    7   5   4
                74.64          1.08        1.2716    8   5   1
                77.54          2.05        1.2312    8   4   4
                78.49          1.75        1.2185    8   5   3
                78.49          1.88        1.2185    9   4   1
                86.99          4.39        1.1200   10   4   0
                86.99          7.01        1.1200    8   6   4
                88.87         19.12        1.1012   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.