Schorlomite
Diffraction data computed using the structure from the paper listed below, 
along with the cell parameters refined from the powder pattern of R060350
      Chakhmouradian A R, McCammon C A
      Physics and Chemistry of Minerals 32 (2005) 277-289
      Schorlomite: a discussion of the crystal chemistry, formula,
      and inter-species boundaries
      Garnet
      Sample: Afrikanda, Kola Peninsula, Russia

      CELL PARAMETERS:  12.1221 12.1221 12.1221   90.000   90.000   90.000
      SPACE GROUP: Ia3d      

           ATOM        X         Y         Z     OCCUPANCY  ISO(B)
            Ca     0.12500   0.00000   0.25000     0.966     0.869
            Fe     0.12500   0.00000   0.25000     0.019     0.869
            Na     0.12500   0.00000   0.25000     0.008     0.869
            Mn     0.12500   0.00000   0.25000     0.007     0.869
            Ti     0.00000   0.00000   0.00000     0.479     0.584
            Fe     0.00000   0.00000   0.00000     0.278     0.584
            Fe     0.00000   0.00000   0.00000     0.098     0.584
            Mg     0.00000   0.00000   0.00000     0.078     0.584
            Zr     0.00000   0.00000   0.00000     0.040     0.584
            Al     0.00000   0.00000   0.00000     0.024     0.584
            Nb     0.00000   0.00000   0.00000     0.002     0.584
            Si     0.37500   0.00000   0.25000     0.767     0.608
            Fe     0.37500   0.00000   0.25000     0.166     0.608
            Al     0.37500   0.00000   0.25000     0.057     0.608
            H      0.37500   0.00000   0.25000     0.040     0.608
            O      0.03730   0.04830   0.65348     1.000     0.963

            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:      25.75646202    
            The INTENSITY cut off value is   1.00

               2-THETA      INTENSITY    D-SPACING   H   K   L
                20.73          4.80        4.2858    2   2   0
                29.47         53.81        3.0305    4   0   0
                33.05        100.00        2.7106    4   2   0
                34.71          9.42        2.5844    3   3   2
                36.31         46.09        2.4744    4   2   2
                37.84         12.81        2.3773    4   3   1
                40.77          9.71        2.2132    5   2   1
                46.16          7.25        1.9665    5   3   2
                46.16          8.60        1.9665    6   1   1
                47.43          5.64        1.9167    6   2   0
                52.29          9.55        1.7497    4   4   4
                54.59         27.98        1.6810    6   4   0
                56.84         59.65        1.6199    6   4   2
                61.16         11.49        1.5153    8   0   0
                62.22          1.36        1.4921    7   4   1
                69.34         12.79        1.3553    8   4   0
                71.31         15.53        1.3226    8   4   2
                73.25          9.19        1.2922    6   6   4
                78.04          1.49        1.2245    8   5   3
                78.04          1.41        1.2245    9   4   1
                86.46          8.01        1.1255    8   6   4
                86.46          5.06        1.1255   10   4   0
                88.32         12.55        1.1066   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.