Braunite
Diffraction data computed using the structure from the paper listed below,
along with the cell parameters refined from the powder pattern for R050385
      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:   9.422490   9.422490   18.70827   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
                16.36          1.34        5.4268    1   1   2
                18.86          2.32        4.7112    2   0   0
                25.53          6.04        3.4915    2   1   3
                33.02        100.00        2.7134    2   2   4
                38.21         12.76        2.3556    4   0   0
                38.50          5.78        2.3385    0   0   8
                41.81          2.42        2.1608    3   3   2
                41.94          2.79        2.1542    3   1   6
                42.18          7.16        2.1425    3   2   5
                48.55          2.86        1.8750    4   3   1
                50.33          1.06        1.8129    5   1   2
                52.69          2.67        1.7369    4   1   7
                55.13         11.44        1.6657    4   4   0
                55.35         29.23        1.6596    4   0   8
                60.06          1.24        1.5401    4   3   7
                60.16          2.68        1.5377    4   1   9
                61.68          2.48        1.5034    6   1   3
                63.38          2.09        1.4670    5   4   1
                65.16          1.26        1.4312    6   1   5
                65.76         15.53        1.4195    6   2   4
                66.16         10.21        1.4120    2   2  12
                68.44          1.38        1.3703    6   3   3
                69.23          4.83        1.3567    4   4   8
                81.72          1.72        1.1778    8   0   0
                82.45          1.97        1.1693    0   0  16
                82.69          1.26        1.1664    8   1   1
                82.69          1.26        1.1664    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.