Pseudobrookite
Diffraction data computed using the structure from the paper listed below, 
along with the cell parameters refined from single crystal data of R120173
      Yang H, Hazen R M
      American Mineralogist 84 (1999) 130-137
      Comparative high-pressure crystal chemistry of karrooite, MgTi2O5, with
      different ordering states
      Sample P1400, x(Ti) in M1 = .485, P = 0.00 GPa
      _database_code_amcsd 0002080

      CELL PARAMETERS:   9.7600  9.9800  3.7300   90.000   90.000   90.000
      SPACE GROUP: Bbmm      

           ATOM        X         Y         Z     OCCUPANCY  ISO(B)
            Mg     0.80850   0.25000   0.00000     0.515     0.500
            Ti     0.80850   0.25000   0.00000     0.485     0.500
            Ti     0.13570   0.43690   0.00000     0.757     0.550
            Mg     0.13570   0.43690   0.00000     0.243     0.550
            O      0.23410   0.25000   0.00000     1.000     1.160
            O      0.04670   0.88410   0.00000     1.000     0.830
            O      0.31100   0.93040   0.00000     1.000     0.670

            X-RAY WAVELENGTH:     1.541838
            BOUNDS ON TWO THETA:    5.0  90.0
            LIMITS IMPOSED ON THE INDICES ARE:  +/-  8 +/-  9 +/-  3
            MAX. ABS. INTENSITY / VOLUME**2:      20.84097868    
            The INTENSITY cut off value is   1.00

               2-THETA      INTENSITY    D-SPACING   H   K   L
                17.77         15.98        4.9900    0   2   0
                18.18         39.01        4.8800    2   0   0
                20.26          1.75        4.3840    2   1   0
                25.53          6.51        3.4889    2   2   0
                25.57        100.00        3.4842    1   0   1
                27.11          3.26        3.2895    1   1   1
                31.31          5.45        2.8567    1   2   1
                32.58         69.99        2.7487    2   3   0
                36.65         14.14        2.4518    3   0   1
                36.84          5.19        2.4400    4   0   0
                37.37         13.18        2.4061    1   3   1
                40.61         13.06        2.2215    2   4   0
                41.18         16.29        2.1920    4   2   0
                45.98          4.92        1.9737    3   3   1
                46.14         23.01        1.9675    4   3   0
                48.83         33.58        1.8650    0   0   2
                49.33         10.81        1.8474    2   5   0
                52.32          9.54        1.7487    3   4   1
                52.37          1.29        1.7470    0   2   2
                52.53          3.33        1.7421    2   0   2
                52.86          1.04        1.7319    1   5   1
                53.79          1.24        1.7041    5   1   1
                55.22         12.25        1.6633    0   6   0
                55.90          1.08        1.6448    2   2   2
                56.30         15.36        1.6341    5   2   1
                56.58          1.73        1.6267    6   0   0
                57.39          3.75        1.6055    6   1   0
                58.64          3.17        1.5744    2   6   0
                59.74          7.55        1.5479    3   5   1
                59.94         19.21        1.5433    2   3   2
                60.32         18.47        1.5345    5   3   1
                61.81          4.54        1.5011    1   6   1
                62.70          2.13        1.4817    4   0   2
                63.68          1.82        1.4613    6   3   0
                65.33          4.19        1.4284    2   4   2
                65.69          2.39        1.4214    5   4   1
                65.74          6.12        1.4204    4   2   2
                68.12          3.99        1.3765    3   6   1
                68.57          2.37        1.3685    2   7   0
                69.44          9.65        1.3535    4   3   2
                71.50          2.27        1.3195    1   7   1
                71.94          5.11        1.3125    2   5   2
                72.35          1.19        1.3060    7   0   1
                73.07          4.78        1.2950    7   1   1
                75.20          6.16        1.2635    7   2   1
                75.38          1.69        1.2610    6   5   0
                76.78          7.01        1.2414    0   6   2
                77.37          2.46        1.2334    1   0   3
                77.93          1.13        1.2259    6   0   2
                78.63          2.47        1.2167    6   1   2
                79.70          1.97        1.2030    2   6   2
                81.16          1.11        1.1851    8   2   0
                83.18          1.31        1.1614    3   0   3
                83.61          1.61        1.1564    1   3   3
                84.17          1.34        1.1503    6   3   2
                87.90          2.50        1.1107    4   8   0
                88.65          2.02        1.1033    2   7   2
                89.73          2.29        1.0929    7   5   1
================================================================================
       XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs
  For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.