Kapellasite
Diffraction data computed using the structure from the paper listed below,  along with the cell parameters refined from single crystal data of R140623
      Krause W, Bernhardt H J, Braithwaite R S W, Kolitsch U, Pritchard R
      Mineralogical Magazine 70 (2006) 329-340
      Kapellasite, Cu3Zn(OH)6Cl2, a new mineral from Lavrion, Greece, and its
      crystal structure
      Locality: Lavrion, Greece
      _database_code_amcsd 0014577

      CELL PARAMETERS:   6.3020  6.3020  5.6670   90.000   90.000  120.000
      SPACE GROUP: P-3m1     

           ATOM        X         Y         Z     OCCUPANCY  ISO(B)
            Cu     0.50000   0.00000   0.50000     1.000     1.303
            Zn     0.00000   0.00000   0.50000     1.000     1.390
            Cl     0.33333   0.66667   0.13730     1.000     1.982
            Cl     0.35440   0.17720   0.34540     0.030     1.271
            OH     0.35440   0.17720   0.34540     0.970     1.271

            X-RAY WAVELENGTH:     1.541838
            BOUNDS ON TWO THETA:    5.0  90.0
            LIMITS IMPOSED ON THE INDICES ARE:  +/-  5 +/-  5 +/-  5
            MAX. ABS. INTENSITY / VOLUME**2:      73.52578878    
            The INTENSITY cut off value is   1.00

               2-THETA      INTENSITY    D-SPACING   H   K   L
                15.64        100.00        5.6670    0   0   1
                16.24          2.21        5.4577    1   0   0
                22.62          3.71        3.9311    1   0   1
                28.32          1.26        3.1510    1   1   0
                31.58         10.45        2.8335    0   0   2
                32.51          4.33        2.7539    1   1   1
                32.82         19.68        2.7288    2   0   0
                35.70          3.16        2.5148    1   0   2
                35.70          3.74        2.5148    0   1   2
                36.55         58.96        2.4586    0   2   1
                36.55          9.44        2.4586    2   0   1
                46.19         18.90        1.9655    0   2   2
                46.19         14.52        1.9655    2   0   2
                46.87          1.57        1.9384    2   1   1
                48.17          3.12        1.8890    0   0   3
                55.07          1.04        1.6677    2   1   2
                56.83          1.21        1.6202    1   1   3
                58.59         14.03        1.5755    2   2   0
                59.52          8.46        1.5532    0   2   3
                59.52          4.57        1.5532    2   0   3
                61.04         10.83        1.5179    2   2   1
                68.09          5.10        1.3770    2   2   2
                68.81          1.87        1.3644    4   0   0
                71.06          1.25        1.3265    0   4   1
                71.06          5.16        1.3265    4   0   1
                75.63          3.95        1.2574    2   0   4
                75.63          2.77        1.2574    0   2   4
                77.67          2.23        1.2293    0   4   2
                77.67          2.46        1.2293    4   0   2
                79.16          3.31        1.2099    2   2   3
                88.37          1.02        1.1061    0   4   3
                88.37          1.85        1.1061    4   0   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.