Almandine
      Diffraction data computed using the structure from the paper listed below, 
      along with the cell parameters refined from single crystal data of R060099
      Novak G A, Gibbs G V
      American Mineralogist 56 (1971) 791-825
      The crystal chemistry of the silicate garnets
      sample Al

      CELL PARAMETERS:  11.5398 11.5398 11.5398   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     0.163
            Al     0.00000   0.00000   0.00000     1.000     0.277
            Fe     0.12500   0.00000   0.25000     0.860     0.494
            Mg     0.12500   0.00000   0.25000     0.090     0.494
            Ca     0.12500   0.00000   0.25000     0.040     0.494
            O      0.03427   0.04860   0.65332     1.000     0.353

            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:      36.46876137    
            The INTENSITY cut off value is   1.00

               2-THETA      INTENSITY    D-SPACING   H   K   L
                18.84          5.02        4.7111    2   1   1
                21.78          2.56        4.0799    2   2   0
                28.95          3.13        3.0841    3   2   1
                31.00         32.88        2.8849    4   0   0
                34.77        100.00        2.5804    4   2   0
                36.52          3.41        2.4603    3   3   2
                38.21         20.21        2.3556    4   2   2
                39.83         10.19        2.2631    4   3   1
                42.93         15.98        2.1069    5   2   1
                44.41          3.63        2.0400    4   4   0
                48.64         10.68        1.8720    6   1   1
                48.64         10.58        1.8720    5   3   2
                55.14         15.75        1.6656    4   4   4
                57.60         30.50        1.6003    6   4   0
                58.80          1.68        1.5704    5   5   2
                59.99         36.89        1.5421    6   4   2
                64.61          9.74        1.4425    8   0   0
                65.74          1.17        1.4205    7   4   1
                73.39          7.93        1.2902    8   4   0
                75.51         16.77        1.2591    8   4   2
                77.61          5.97        1.2301    6   6   4
                82.80          1.52        1.1657    8   5   3
                82.80          1.24        1.1657    9   4   1
                85.89          1.70        1.1316   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.