Kleinite
Diffraction data computed using the structure from the paper listed below,
along with the cell parameters refined from single crystal data of R060329
      Giester G, Mikenda W, Pertlik F
      Neues Jahrbuch fur Mineralogie, Monatshefte 1996 (1996) 49-56
      Kleinite from Terlingua, Brewster County, Texas: Investigations
      by single crystal X-ray diffraction, and vibrational spectroscopy
      Locality: Terlingua, Brewster County, Texas, USA

      CELL PARAMETERS:   6.6600  6.6600 11.1900   90.000   90.000  120.000
      SPACE GROUP: P6_3/mmc  

           ATOM        X         Y         Z     OCCUPANCY  ISO(B)
            Hg     0.33333   0.66667   0.25000     1.000     1.553
            Hg     0.50000   0.00000   0.00000     1.000     1.369
            N      0.33333   0.66667   0.06250     1.000     1.579
            S      0.00000   0.00000   0.25000     0.250    12.186
            S     -0.03640  -0.07280   0.25000     0.250     3.378
            Cl     0.00000   0.00000   0.00000     1.000     5.685
            Wa     0.60620   0.80310   0.75000     0.100     3.632
            Wa     0.66820   0.83410   0.00000     0.100     3.000
            Wa     0.33333   0.66667   0.75000     0.100     7.027

            X-RAY WAVELENGTH:     1.541838
            BOUNDS ON TWO THETA:    5.0  90.0
            LIMITS IMPOSED ON THE INDICES ARE:  +/-  5 +/-  5 +/- 10
            MAX. ABS. INTENSITY / VOLUME**2:      255.4880639    
            The INTENSITY cut off value is   1.00

               2-THETA      INTENSITY    D-SPACING   H   K   L
                15.36         46.60        5.7677    1   0   0
                15.84         46.52        5.5950    0   0   2
                17.30         39.22        5.1268    1   0   1
                22.13          7.40        4.0159    1   0   2
                26.77          1.62        3.3300    1   1   0
                28.50          7.61        3.1321    1   0   3
                31.01         41.37        2.8839    2   0   0
                31.26         40.76        2.8615    1   1   2
                31.99         34.65        2.7975    0   0   4
                32.05          9.13        2.7926    2   0   1
                35.00        100.00        2.5634    2   0   2
                35.67         11.51        2.5171    1   0   4
                39.50          3.51        2.2815    2   0   3
                41.42          8.66        2.1800    2   1   0
                42.23          7.50        2.1398    2   1   1
                43.37          3.84        2.0864    1   0   5
                44.61          2.09        2.0313    2   1   2
                45.15         28.04        2.0080    2   0   4
                48.36          3.53        1.8821    2   1   3
                48.83          1.93        1.8650    0   0   6
                50.17          9.73        1.8182    3   0   2
                51.70          2.29        1.7681    2   0   5
                53.27          7.45        1.7195    2   1   4
                55.16         18.80        1.6650    2   2   0
                56.56          7.82        1.6272    1   1   6
                57.62          3.31        1.5997    3   1   0
                57.77          8.05        1.5958    2   2   2
                58.26          2.63        1.5836    3   1   1
                58.98         19.88        1.5661    2   0   6
                59.16          2.68        1.5616    2   1   5
                63.25          1.50        1.4702    3   1   3
                64.64          3.81        1.4419    4   0   0
                65.21         19.67        1.4308    2   2   4
                66.89          2.93        1.3987    0   0   8
                67.02         12.44        1.3963    4   0   2
                67.44          3.65        1.3887    3   1   4
                69.10          1.46        1.3593    1   0   8
                70.32          3.53        1.3386    3   0   6
                71.27          1.67        1.3232    3   2   0
                71.84          1.16        1.3141    3   2   1
                72.65          1.31        1.3014    3   1   5
                73.95          4.92        1.2817    4   0   4
                75.55          4.85        1.2585    2   0   8
                76.73          2.64        1.2420    2   2   6
                77.78          4.30        1.2279    4   1   2
                80.26          2.15        1.1962    3   2   4
                81.82          1.78        1.1773    2   1   8
                85.03          5.85        1.1407    4   0   6
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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.