Alum-(Na)
Diffraction data computed using the structure from the paper listed below,
along with the cell parameters refined from single crystal data of R110204
      Cromer D T, Kay M I, Larson A C
      Acta Crystallographica 22 (1967) 182-187
      Refinement of the alum structures. II. X-ray and neutron diffraction of
      NaAl(SO4)2*12H2O, gamma alum
      Locality: synthetic
      _database_code_amcsd 0009307

      CELL PARAMETERS:  12.1710 12.1710 12.1710   90.000   90.000   90.000
      SPACE GROUP: Pa3       

           ATOM        X         Y         Z     OCCUPANCY  ISO(B)
            Na     0.50000   0.50000   0.50000     1.000     2.441
            Al     0.00000   0.00000   0.00000     1.000     1.683
            S      0.26520   0.26520   0.26520     1.000     2.352
            O      0.33430   0.33430   0.33430     1.000     4.071
            O      0.29570   0.27830   0.15080     1.000     5.285
            Ow     0.07670   0.04030   0.31880     1.000     3.217
            Ow     0.13710   0.95960   0.05730     1.000     2.516
            H      0.58500   0.31900   0.37800     1.000     3.400
            H      0.48600   0.30800   0.38300     1.000     4.000
            H      0.55500   0.20200   0.50200     1.000     3.200
            H      0.58800   0.33900   0.11300     1.000     2.400

            X-RAY WAVELENGTH:     1.541838
            BOUNDS ON TWO THETA:    5.0  90.0
            LIMITS IMPOSED ON THE INDICES ARE:  +/- 11 +/- 11 +/- 11
            MAX. ABS. INTENSITY / VOLUME**2:      13.95417629    
            The INTENSITY cut off value is   1.00

               2-THETA      INTENSITY    D-SPACING   H   K   L
                12.60          6.72        7.0269    1   1   1
                14.56          1.98        6.0855    2   0   0
                16.28          3.21        5.4430    2   1   0
                17.85          2.88        4.9688    2   1   1
                20.64        100.00        4.3031    2   2   0
                21.91          1.00        4.0570    2   2   1
                24.25          2.40        3.6697    3   1   1
                25.35         12.25        3.5135    2   2   2
                26.40          3.46        3.3756    3   0   2
                27.42          4.64        3.2528    3   1   2
                29.35          5.85        3.0427    4   0   0
                30.28         30.06        2.9519    4   1   0
                30.28          4.44        2.9519    3   2   2
                32.91          1.68        2.7215    4   2   0
                33.75          1.76        2.6559    4   2   1
                36.16          7.96        2.4844    4   2   2
                37.69          3.31        2.3869    4   1   3
                37.69          1.88        2.3869    4   3   1
                39.89          1.31        2.2601    5   0   2
                39.89          2.60        2.2601    4   3   2
                41.99          2.79        2.1515    4   4   0
                42.68          4.81        2.1187    5   2   2
                43.35          1.65        2.0873    4   3   3
                44.02          2.49        2.0573    5   1   3
                45.32          1.01        2.0009    6   1   0
                45.97          1.08        1.9744    6   1   1
                45.97          3.77        1.9744    5   2   3
                47.23          4.02        1.9244    6   0   2
                47.23          1.93        1.9244    6   2   0
                47.85          5.39        1.9008    6   1   2
                47.85          1.21        1.9008    4   4   3
                49.69          1.69        1.8348    6   2   2
                50.88          1.80        1.7945    6   1   3
                56.59          3.48        1.6264    6   4   2
                56.59          3.63        1.6264    6   2   4
                65.02          2.15        1.4344    8   2   2
                76.72          1.10        1.2422    8   4   4
================================================================================
       XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs
  For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.