Retgersite
Diffraction data computed using the structure from the paper listed below, 
along with the cell parameters refined from single crystal data of R100086
      McIntyre G J, Ptasiewicz-Bak H, Olovsson I
      Acta Crystallographica B46 (1990) 27-39
      Bonding deformation and superposition effects in the
      electron density of tetragonal nickel sulfate hexadeuterate NiSO4*6D2O
      Sample: neutron refinement
      Note: anisoU's from ICSD
      _database_code_amcsd 0009837

      CELL PARAMETERS:   6.7889  6.7889 18.2900   90.000   90.000   90.000
      SPACE GROUP: P4_32_12  

           ATOM        X         Y         Z     OCCUPANCY  ISO(B)
            Ni    -0.21040  -0.21040   0.00000     1.000     0.750
            S     -0.70900  -0.70900   0.00000     1.000     0.797
            O     -0.62170  -0.62050  -0.06589     1.000     2.013
            O     -0.92290  -0.67250  -0.00020     1.000     1.800
            O     -0.17260   0.04690  -0.05257     1.000     1.808
            O     -0.47010  -0.24420  -0.05628     1.000     1.255
            O     -0.06550  -0.35680  -0.08475     1.000     1.184
            D     -0.07760   0.14590  -0.04018     1.000     2.148
            D      0.75110   0.08390  -0.09466     1.000     2.329
            D      0.43340  -0.14330  -0.04725     1.000     2.416
            D      0.46530  -0.37230  -0.05872     1.000     2.006
            D      0.01440  -0.46430  -0.06653     1.000     2.337
            D      0.01600  -0.27160  -0.11624     1.000     1.998

            X-RAY WAVELENGTH:     1.541838
            BOUNDS ON TWO THETA:    5.0  90.0
            LIMITS IMPOSED ON THE INDICES ARE:  +/-  6 +/-  6 +/- 16
            MAX. ABS. INTENSITY / VOLUME**2:      21.98860379    
            The INTENSITY cut off value is   1.00

               2-THETA      INTENSITY    D-SPACING   H   K   L
                13.91          8.48        6.3646    1   0   1
                19.11          7.33        4.6432    1   1   1
                19.41         32.77        4.5725    0   0   4
                20.90        100.00        4.2505    1   1   2
                23.59          4.80        3.7716    1   1   3
                26.25          9.20        3.3944    2   0   0
                26.71          4.91        3.3375    2   0   1
                28.04          1.90        3.1823    2   0   2
                29.42          1.22        3.0361    2   1   0
                30.13         15.45        2.9658    2   0   3
                30.73          2.41        2.9095    1   1   5
                31.04          2.09        2.8814    2   1   2
                32.19          1.66        2.7809    1   0   6
                32.86         16.47        2.7255    2   0   4
                34.86         12.76        2.5733    1   1   6
                35.49          5.19        2.5293    2   1   4
                38.54         11.39        2.3362    2   1   5
                39.26          1.22        2.2949    1   1   7
                40.15          1.31        2.2458    3   0   1
                42.39          7.24        2.1322    3   1   1
                42.54          3.75        2.1252    2   2   4
                42.62          3.91        2.1215    3   0   3
                43.29          5.09        2.0900    3   1   2
                44.68          1.28        2.0282    3   0   4
                44.76          3.67        2.0250    3   1   3
                45.82          3.84        1.9804    2   1   7
                46.74          1.21        1.9433    3   1   4
                47.98          5.87        1.8963    2   0   8
                48.34          2.03        1.8829    3   2   0
                49.21          4.97        1.8515    3   1   5
                49.94          2.97        1.8263    2   1   8
                52.11          6.46        1.7552    3   1   6
                53.62          4.72        1.7091    1   1  10
                54.28          3.19        1.6900    4   0   1
                55.39          1.50        1.6587    3   1   7
                55.51          4.01        1.6555    2   2   8
                56.08          1.52        1.6399    4   1   1
                56.26          2.75        1.6351    4   0   3
                57.84          1.08        1.5941    3   3   1
                60.10          2.04        1.5396    4   0   5
                60.77          1.09        1.5242    0   0  12
                61.27          1.88        1.5128    4   2   1
                61.97          1.11        1.4976    4   2   2
                62.98          1.37        1.4759    3   1   9
                65.59          1.22        1.4233    4   0   7
                66.71          1.80        1.4021    4   2   5
                67.25          1.27        1.3922    3   1  10
                67.35          1.32        1.3904    2   0  12
                67.86          1.06        1.3812    3   2   9
                70.98          1.07        1.3279    5   1   1
                71.93          1.18        1.3126    4   2   7
                72.69          1.76        1.3008    5   1   3
                75.40          1.75        1.2606    1   1  14
                76.08          1.37        1.2511    5   1   5
                80.76          1.26        1.1899    4   4   2
                81.06          1.95        1.1863    5   1   7
                87.61          1.41        1.1137    5   1   9
================================================================================
       XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs
  For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.