Segnitite
      Diffraction data computed using the structure from the paper listed below, 
      along with the cell parameters refined from single crystal data of R100183
      Majzlan J, Speziale S, Duffy T S, Burns P C
      Physics and Chemistry of Minerals 33 (2006) 567-573
      Single-crystal elastic properties of alunite, KAl3(SO4)2(OH)6
      _database_code_amcsd 0009047

      CELL PARAMETERS:   7.3618  7.3618 17.0780   90.000   90.000  120.000
      SPACE GROUP: R-3m      

           ATOM        X         Y         Z     OCCUPANCY  ISO(B)
            S      0.00000   0.00000   0.30380     1.000     0.521
            Al     0.00000   0.50000   0.50000     0.989     0.537
            O      0.00000   0.00000   0.38820     1.000     0.869
            O      0.21820  -0.21820  -0.05910     1.000     0.782
            O      0.12580  -0.12580   0.14000     1.000     0.679
            K      0.00000   0.00000   0.00000     0.805     1.105
            Na     0.00000   0.00000   0.00000     0.132     1.105
            O      0.00000   0.00000   0.00000     0.063     1.105
            H      0.17800  -0.17800   0.11800     1.000     2.621

            X-RAY WAVELENGTH:     1.541838
            BOUNDS ON TWO THETA:    5.0  90.0
            LIMITS IMPOSED ON THE INDICES ARE:  +/-  5 +/-  5 +/- 15
            MAX. ABS. INTENSITY / VOLUME**2:      14.44399922    
            The INTENSITY cut off value is   1.00

               2-THETA      INTENSITY    D-SPACING   H   K   L
                14.83         14.89        5.9729    1   0   1
                15.57          1.62        5.6927    0   0   3
                17.36         53.13        5.1086    0   1   2
                24.18         28.94        3.6809    1   1   0
                28.48         29.62        3.1336    0   2   1
                28.88        100.00        3.0910    1   1   3
                29.67          4.83        3.0108    0   1   5
                31.43          8.32        2.8463    0   0   6
                35.13          4.34        2.5543    0   2   4
                38.63          2.95        2.3305    2   0   5
                38.83          7.39        2.3191    1   2   2
                39.55         31.74        2.2786    1   0   7
                43.11          1.34        2.0985    2   1   4
                45.56         36.62        1.9910    0   3   3
                45.56          1.19        1.9910    3   0   3
                46.90          1.06        1.9374    0   2   7
                47.94          4.66        1.8976    0   0   9
                49.53         27.42        1.8405    2   2   0
                51.52          1.25        1.7738    2   0   8
                52.88          2.96        1.7315    3   1   2
                56.31          1.43        1.6337    1   3   4
                57.69          2.40        1.5979    1   2   8
                58.13          1.43        1.5870    4   0   1
                58.80          3.33        1.5703    3   1   5
                58.95          2.63        1.5668    0   4   2
                59.84          8.94        1.5455    2   2   6
                61.61         18.41        1.5054    0   2  10
                62.17          2.95        1.4932    4   0   4
                63.88          1.14        1.4573    3   2   1
                64.52          1.02        1.4444    0   4   5
                64.65          3.42        1.4416    2   3   2
                65.16          3.86        1.4317    1   3   7
                66.00          2.15        1.4154    0   3   9
                67.30          2.66        1.3912    4   1   0
                69.56          3.18        1.3515    1   4   3
                69.56          5.90        1.3515    4   1   3
                71.40          1.94        1.3211    2   2   9
                73.62          1.85        1.2867    1   0  13
                75.84          8.05        1.2545    3   2   7
                77.74          3.29        1.2284    1   3  10
                77.85          1.49        1.2270    3   3   0
                81.38          1.52        1.1825    0   3  12
                82.84          2.97        1.1652    4   0  10
                83.88          4.54        1.1534    2   1  13
================================================================================
       XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs
  For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.