Braunite
Diffraction data computed using the structure from the paper listed below,
along with the cell parameters refined from the powder pattern for R050388
      de Villiers J P R
      American Mineralogist 60 (1975) 1098-1104
      The crystal structure of braunite with reference to its solid-solution behavior

      CELL PARAMETERS:   9.426676   9.426676   18.69845   90.00000   90.00000   90.00000
      ALTERNATE SETTING FOR SPACE GROUP: I4_1/acd
      X-RAY WAVELENGTH:     1.541838
               2-THETA      INTENSITY    D-SPACING   H   K   L
                16.40          1.34        5.4275    1   1   2
                18.89          2.32        4.7133    2   0   0
                25.57          6.04        3.4920    2   1   3
                33.06        100.00        2.7137    2   2   4
                38.23         12.76        2.3567    4   0   0
                38.56          5.78        2.3373    0   0   8
                41.83          2.42        2.1617    3   3   2
                41.98          2.79        2.1542    3   1   6
                42.22          7.16        2.1428    3   2   5
                48.57          2.86        1.8758    4   3   1
                50.35          1.06        1.8136    5   1   2
                52.73          2.67        1.7370    4   1   7
                55.14         11.44        1.6664    4   4   0
                55.39         29.23        1.6595    4   0   8
                60.09          1.24        1.5403    4   3   7
                60.21          2.68        1.5376    4   1   9
                61.70          2.48        1.5039    6   1   3
                63.39          2.09        1.4677    5   4   1
                65.18          1.26        1.4317    6   1   5
                65.78         15.53        1.4201    6   2   4
                66.22         10.21        1.4116    2   2  12
                68.45          1.38        1.3708    6   3   3
                69.26          4.83        1.3569    4   4   8
                81.72          1.72        1.1783    8   0   0
                82.54          1.97        1.1687    0   0  16
                82.69          1.26        1.1670    8   1   1
                82.69          1.26        1.1670    8   1   1
       XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs
  For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.