Schorlomite
Diffraction data computed using the structure from the paper listed below,  along with the cell parameters refined from single crystal data of R140772
      Peterson R C, Locock A J, Luth R W
      The Canadian Mineralogist 33 (1995) 627-631
      Positional disorder of oxygen in garnet: the crystal-structure
      refinement of schorlomite
      Sample: model 1
      _database_code_amcsd 0005430

      CELL PARAMETERS:  12.1980 12.1980 12.1980   90.000   90.000   90.000
      SPACE GROUP: Ia-3d     

           ATOM        X         Y         Z     OCCUPANCY  ISO(B)
            Si     0.37500   0.00000   0.25000     0.780     0.947
            Fe     0.37500   0.00000   0.25000     0.220     0.947
            Ti     0.00000   0.00000   0.00000     0.530     0.553
            Fe     0.00000   0.00000   0.00000     0.350     0.553
            Al     0.00000   0.00000   0.00000     0.070     0.553
            Zr     0.00000   0.00000   0.00000     0.020     0.553
            Mg     0.00000   0.00000   0.00000     0.020     0.553
            Mn     0.00000   0.00000   0.00000     0.010     0.553
            Ca     0.12500   0.00000   0.25000     0.960     0.500
            Mg     0.12500   0.00000   0.25000     0.030     0.500
            Na     0.12500   0.00000   0.25000     0.010     0.500
            O      0.03680   0.04880   0.65280     1.000     0.895

            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:      25.89418845    
            The INTENSITY cut off value is   1.00

               2-THETA      INTENSITY    D-SPACING   H   K   L
                20.59          9.39        4.3126    2   2   0
                29.29         58.67        3.0495    4   0   0
                32.84        100.00        2.7276    4   2   0
                34.49         10.23        2.6006    3   3   2
                36.07         54.26        2.4899    4   2   2
                37.60         12.52        2.3922    4   3   1
                40.51          9.07        2.2270    5   2   1
                45.86          6.62        1.9788    5   3   2
                45.86          8.26        1.9788    6   1   1
                47.12          7.16        1.9287    6   2   0
                51.94          8.68        1.7606    4   4   4
                54.23         28.99        1.6916    6   4   0
                56.45         65.83        1.6300    6   4   2
                60.74         12.67        1.5247    8   0   0
                61.79          1.28        1.5015    7   4   1
                64.86          1.19        1.4375    8   2   2
                68.84         14.40        1.3638    8   4   0
                70.79         15.65        1.3309    8   4   2
                72.72         10.33        1.3003    6   6   4
                77.46          1.51        1.2322    8   5   3
                77.46          1.41        1.2322    9   4   1
                85.80          5.19        1.1326   10   4   0
                85.80          8.10        1.1326    8   6   4
                87.63         13.92        1.1135   10   4   2
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       XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs
  For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.