Sinhalite
Diffraction data computed using the structure from the paper listed below, 
along with the cell parameters refined from single crystal data of R070621
      Hayward C L, Angel R J, Ross N L
      European Journal of Mineralogy 6 (1994) 313-321
      The structural redetermination and crystal chemistry
      of sinhalite, MgAlBO4

      CELL PARAMETERS:   4.3280  9.8430  5.6860   90.000   90.000   90.000
      SPACE GROUP: Pbnm      

           ATOM        X         Y         Z     OCCUPANCY  ISO(B)
            Al     0.00000   0.00000   0.00000     1.000     0.400
            Al    -0.01468   0.27606   0.25000     0.050     0.410
            Mg    -0.01468   0.27606   0.25000     0.920     0.410
            Fe    -0.01468   0.27606   0.25000     0.015     0.410
            B      0.40850   0.08740   0.25000     1.000     0.430
            O      0.74100   0.08063   0.25000     1.000     0.440
            O      0.25660   0.44414   0.25000     1.000     0.410
            O      0.26470   0.14876   0.03850     1.000     0.440

            X-RAY WAVELENGTH:     1.541838
            BOUNDS ON TWO THETA:    5.0  90.0
            LIMITS IMPOSED ON THE INDICES ARE:  +/-  3 +/-  9 +/-  5
            MAX. ABS. INTENSITY / VOLUME**2:      8.957799909    
            The INTENSITY cut off value is   1.00

               2-THETA      INTENSITY    D-SPACING   H   K   L
                18.02         31.52        4.9215    0   2   0
                22.44         18.25        3.9619    1   1   0
                23.91         10.27        3.7212    0   2   1
                25.87          7.39        3.4439    1   0   1
                27.44         42.84        3.2506    1   1   1
                27.44          7.87        3.2500    1   2   0
                31.47          2.25        2.8430    0   0   2
                31.71          2.51        2.8216    1   2   1
                34.30         52.24        2.6146    1   3   0
                36.50          7.73        2.4618    0   2   2
                36.51          1.48        2.4608    0   4   0
                37.87         40.94        2.3755    1   3   1
                38.99         48.72        2.3098    1   1   2
                39.92          4.78        2.2583    0   4   1
                42.23         64.09        2.1398    1   2   2
                42.25         31.72        2.1392    1   4   0
                42.79          2.29        2.1135    2   1   0
                47.23          5.91        1.9245    1   3   2
                48.67          4.64        1.8707    2   2   1
                50.96          1.75        1.7919    1   5   0
                51.68          2.55        1.7687    0   2   3
                52.72          2.37        1.7362    1   0   3
                53.60          7.88        1.7098    1   1   3
                53.62          1.81        1.7093    1   4   2
                53.63          3.27        1.7091    1   5   1
                56.18          2.00        1.6373    1   2   3
                56.63         68.43        1.6253    2   2   2
                56.64         31.57        1.6250    2   4   0
                58.56          7.45        1.5762    0   6   1
                59.13          5.37        1.5625    2   4   1
                60.31          8.28        1.5346    1   3   3
                60.34          3.96        1.5340    1   6   0
                61.13         15.37        1.5159    1   5   2
                61.78          4.06        1.5016    0   4   3
                65.38          3.13        1.4274    3   1   0
                65.68         18.68        1.4215    0   0   4
                65.72         27.15        1.4209    0   6   2
                65.84          2.38        1.4186    1   4   3
                66.25          4.17        1.4108    2   4   2
                67.67          5.18        1.3845    3   1   1
                68.73          1.09        1.3657    0   2   4
                70.36          1.82        1.3380    1   1   4
                70.40          8.24        1.3373    1   7   0
                71.43          2.84        1.3206    3   3   0
                73.64          1.40        1.2864    3   3   1
                74.36          5.61        1.2757    3   1   2
                76.24          7.76        1.2489    1   3   4
                76.54          9.48        1.2447    3   2   2
                76.55          3.08        1.2446    3   4   0
                76.85          1.01        1.2404    0   6   3
                77.56          1.81        1.2309    0   4   4
                81.26          3.01        1.1839    1   4   4
                85.08          1.66        1.1402    3   1   3
                85.10          1.06        1.1400    3   5   1
                86.11          3.86        1.1292    0   8   2
                89.70          1.08        1.0931    1   1   5
                89.75          1.09        1.0926    1   8   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.