Almandine
      Diffraction data computed using the structure from the paper listed below, 
      along with the cell parameters refined from single crystal data of R100046
      Novak G A, Gibbs G V
      American Mineralogist 56 (1971) 791-825
      The crystal chemistry of the silicate garnets
      sample Al
      AMCSD#0000239

      CELL PARAMETERS:  11.5170 11.5170 11.5170   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     0.276
            Fe     0.12500   0.00000   0.25000     0.860     0.492
            Mg     0.12500   0.00000   0.25000     0.090     0.492
            Ca     0.12500   0.00000   0.25000     0.040     0.492
            O      0.03427   0.04860   0.65332     1.000     0.352

            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:      36.69097626    
            The INTENSITY cut off value is   1.00

               2-THETA      INTENSITY    D-SPACING   H   K   L
                18.87          5.03        4.7018    2   1   1
                21.83          2.56        4.0719    2   2   0
                29.01          3.14        3.0780    3   2   1
                31.06         32.88        2.8793    4   0   0
                34.84        100.00        2.5753    4   2   0
                36.60          3.40        2.4554    3   3   2
                38.29         20.23        2.3509    4   2   2
                39.91         10.17        2.2587    4   3   1
                43.02         15.96        2.1027    5   2   1
                44.50          3.62        2.0359    4   4   0
                48.74         10.66        1.8683    6   1   1
                48.74         10.56        1.8683    5   3   2
                55.26         15.73        1.6623    4   4   4
                57.72         30.45        1.5971    6   4   0
                58.93          1.67        1.5673    5   5   2
                60.12         36.83        1.5390    6   4   2
                64.76          9.73        1.4396    8   0   0
                65.89          1.16        1.4176    7   4   1
                73.55          7.92        1.2876    8   4   0
                75.68         16.75        1.2566    8   4   2
                77.80          5.97        1.2277    6   6   4
                83.00          1.23        1.1634    9   4   1
                83.00          1.52        1.1634    8   5   3
                86.10          1.70        1.1293   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.