Witherite
Diffraction data computed using the structure from the paper listed below, 
along with the cell parameters refined from the powder pattern of R040040
      Holl C M, Smyth J R, Laustsen H M S, Jacobsen S D, Downs R T
      Physics and Chemistry of Minerals 27 (2000) 467-473
      Compression of witherite to 8 GPa and the crystal structure of BaCO3 II
      Sample: P = 0.00 GPa

      CELL PARAMETERS:   5.3072  8.8928  6.4245   90.000   90.000   90.000
      SPACE GROUP: Pmcn      

           ATOM        X         Y         Z     OCCUPANCY  ISO(B)
            Ba     0.25000   0.41631   0.75462     1.000     0.722
            C      0.25000   0.75630   0.91970     1.000     0.829
            O      0.25000   0.90100   0.91150     1.000     1.248
            O      0.45960   0.68410   0.91940     1.000     1.232

            X-RAY WAVELENGTH:     1.541838
            BOUNDS ON TWO THETA:    5.0  90.0
            LIMITS IMPOSED ON THE INDICES ARE:  +/-  4 +/-  8 +/-  5
            MAX. ABS. INTENSITY / VOLUME**2:      94.35627477    
            The INTENSITY cut off value is   1.00

               2-THETA      INTENSITY    D-SPACING   H   K   L
                19.48          8.23        4.5573    1   1   0
                19.97          3.78        4.4464    0   2   0
                23.94        100.00        3.7171    1   1   1
                24.34         50.87        3.6561    0   2   1
                27.77         14.47        3.2122    0   0   2
                29.57          4.32        3.0212    0   1   2
                32.58          2.94        2.7481    1   0   2
                33.78         14.71        2.6536    2   0   0
                34.15         21.59        2.6256    1   1   2
                34.44         10.64        2.6038    0   2   2
                34.66         27.00        2.5880    1   3   0
                39.55          6.89        2.2787    2   2   0
                40.58          2.66        2.2232    0   4   0
                42.07         31.88        2.1476    2   2   1
                43.05         14.93        2.1010    0   4   1
                44.27         14.01        2.0458    2   0   2
                44.98         25.82        2.0153    1   3   2
                46.88         19.73        1.9382    1   1   3
                47.10          9.44        1.9294    0   2   3
                49.01          3.97        1.8585    2   2   2
                49.89          2.29        1.8281    0   4   2
                52.76          2.00        1.7351    3   1   0
                53.79          1.90        1.7042    2   4   0
                54.41          1.42        1.6864    1   5   0
                54.80          8.63        1.6751    3   1   1
                55.81          8.36        1.6472    2   4   1
                56.41          8.07        1.6311    1   5   1
                57.37          1.98        1.6061    0   0   4
                59.21          4.42        1.5605    2   2   3
                59.98          1.95        1.5423    0   4   3
                60.66          2.40        1.5266    3   1   2
                60.99          4.15        1.5191    3   3   0
                61.18          3.19        1.5148    1   1   4
                61.37          1.47        1.5106    0   2   4
                61.61          2.46        1.5054    2   4   2
                62.17          2.36        1.4931    1   5   2
                62.68          2.15        1.4821    0   6   0
                68.26          3.22        1.3740    2   0   4
                68.30          7.00        1.3733    3   3   2
                68.79          6.67        1.3647    1   3   4
                69.76          6.00        1.3481    3   1   3
                69.90          3.15        1.3458    0   6   2
                70.64          5.57        1.3335    2   4   3
                71.05          2.23        1.3268    4   0   0
                71.16          5.60        1.3249    1   5   3
                71.92          1.18        1.3128    2   2   4
                73.14          4.13        1.2940    2   6   0
                76.36          3.64        1.2472    4   2   1
                77.13          3.22        1.2367    1   1   5
                77.30          1.52        1.2344    0   2   5
                77.55          3.48        1.2310    3   5   1
                77.90          1.74        1.2263    4   0   2
                78.90          3.01        1.2133    1   7   1
                79.93          3.20        1.2003    2   6   2
                81.40          1.15        1.1822    4   2   2
                82.57          1.12        1.1684    3   5   2
                83.91          1.10        1.1531    1   7   2
                86.82          2.80        1.1218    4   4   1
                87.07          2.92        1.1192    2   2   5
                87.73          1.45        1.1125    0   4   5
                88.62          3.33        1.1037    3   3   4
                89.47          1.34        1.0953    0   8   1
                89.69          2.21        1.0932    4   2   3
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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.