Erdite
Diffraction data computed using the structure from the paper listed below, 
along with the cell parameters refined from single crystal data of R070139
      Konnert J A, Evans H T
      American Mineralogist 65 (1980) 516-521
      The crystal structure of erdite, NaFeS2*2H2O
      _database_code_amcsd 0000785

      CELL PARAMETERS:  10.7900  9.1000  5.5100   90.000   92.290   90.000
      SPACE GROUP: C2/c      

           ATOM        X         Y         Z     OCCUPANCY  ISO(B)
            Na     0.00000   0.38700   0.25000     1.000     2.488
            Fe     0.00000  -0.00100   0.25000     1.000     1.023
            S      0.11800   0.86400   0.00800     1.000     1.358
            OH     0.13000   0.58400   0.41400     1.000     2.527

            X-RAY WAVELENGTH:     1.541838
            BOUNDS ON TWO THETA:    5.0  90.0
            LIMITS IMPOSED ON THE INDICES ARE:  +/-  9 +/-  8 +/-  5
            MAX. ABS. INTENSITY / VOLUME**2:      17.59678349    
            The INTENSITY cut off value is   1.00

               2-THETA      INTENSITY    D-SPACING   H   K   L
                12.73        100.00        6.9540    1   1   0
                16.44         72.31        5.3907    2   0   0
                19.51         31.32        4.5500    0   2   0
                20.31         11.25        4.3717   -1   1   1
                20.84          3.23        4.2634    1   1   1
                25.62         23.19        3.4770    2   2   0
                26.67          7.61        3.3426    3   1   0
                30.04         17.12        2.9746   -2   2   1
                30.62          3.67        2.9200    1   3   0
                30.77         50.12        2.9062    2   2   1
                30.77         10.91        2.9055   -3   1   1
                35.38          3.91        2.5373    1   1   2
                36.04         11.61        2.4923   -2   0   2
                37.27          3.48        2.4129    2   0   2
                38.21          8.26        2.3553    0   2   2
                38.83          6.05        2.3190    4   2   0
                38.85         20.34        2.3180    3   3   0
                39.62          1.39        2.2750    0   4   0
                41.30          9.37        2.1859   -2   2   2
                41.72          2.45        2.1648   -3   1   2
                41.89          2.66        2.1563   -3   3   1
                42.40          3.62        2.1317    2   2   2
                42.83          2.35        2.1113    4   2   1
                43.16          1.49        2.0960    2   4   0
                43.35          7.56        2.0872    3   1   2
                45.01         15.11        2.0139   -1   3   2
                45.53         12.65        1.9923    1   3   2
                46.18         12.42        1.9655   -4   0   2
                46.94          1.32        1.9357    5   1   1
                48.18         11.84        1.8885    4   0   2
                50.59          2.74        1.8044   -4   2   2
                50.81          1.89        1.7969    6   0   0
                50.84          1.48        1.7961   -3   3   2
                50.88          4.41        1.7946    1   5   0
                51.85          2.58        1.7633    1   1   3
                52.04          9.33        1.7575    5   3   0
                52.16          7.68        1.7536    0   4   2
                52.46          2.60        1.7443    4   2   2
                52.65          8.36        1.7385    4   4   0
                53.61          2.17        1.7096   -1   5   1
                53.90          4.97        1.7009   -5   1   2
                54.94          2.63        1.6713    6   2   0
                55.52          1.36        1.6553    2   4   2
                56.06          3.39        1.6406   -2   2   3
                56.14          1.57        1.6383    5   1   2
                56.69          3.17        1.6237    3   5   0
                56.99          4.73        1.6160   -6   2   1
                58.29          1.61        1.5830    6   2   1
                59.02          1.52        1.5650   -3   5   1
                59.81          1.55        1.5463    1   3   3
                60.38          1.30        1.5330   -6   0   2
                61.49          4.32        1.5080   -1   5   2
                61.91          2.16        1.4988    1   5   2
                62.88          2.06        1.4779    6   0   2
                66.30          1.93        1.4097   -3   5   2
                66.43          1.55        1.4074    2   6   1
                66.52          1.38        1.4056    6   2   2
                67.32          2.14        1.3908    5   5   0
                68.13          2.15        1.3764    0   0   4
                69.24          2.38        1.3569   -1   1   4
                69.78          3.00        1.3477    8   0   0
                73.35          2.45        1.2907    1   7   0
                76.39          1.34        1.2467   -7   3   2
                78.89          1.08        1.2134    6   2   3
                79.02          1.46        1.2118    7   3   2
                80.18          1.23        1.1971   -3   3   4
                82.41          1.58        1.1703    3   3   4
                86.71          1.16        1.1229   -3   7   2
                88.87          1.48        1.1012   -5   3   4
================================================================================
       XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs
  For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.