Thaumasite
Diffraction data computed using the structure from the paper listed below,
along with the cell parameters refined from the powder pattern for R060296
      Jacobsen S D, Smyth J R, Swope R J
      Physics and Chemistry of Minerals 30 (2003) 321-329
      Thermal expansion of hydrated six-coordinated silicon in thaumasite,
      Ca3Si(OH)6(CO3)(SO4).12H2O
      Sample: T = 298 K
      Locality: unknown

      CELL PARAMETERS:   11.05380   11.05380   10.41110   90.00000   90.00000   120.0000
      SPACE GROUP: P6_3
      X-RAY WAVELENGTH:     1.541838
               2-THETA      INTENSITY    D-SPACING   H   K   L
                 9.23        100.00        9.5783    1   0   0
                12.54          6.27        7.0565    1   0   1
                16.02         30.07        5.5300    1   1   0
                16.98          2.56        5.2178    0   0   2
                18.14          8.42        4.8863    1   1   1
                18.51          2.70        4.7892    2   0   0
                19.36         18.40        4.5820    1   0   2
                20.39          4.05        4.3527    2   0   1
                23.42         38.41        3.7951    1   1   2
                24.57          1.39        3.6203    1   2   0
                25.22         14.80        3.5283    2   0   2
                26.03          7.18        3.4203    2   1   1
                26.03         15.66        3.4203    1   2   1
                27.26          3.39        3.2696    1   0   3
                27.92         10.36        3.1928    3   0   0
                30.33          3.83        2.9444    1   1   3
                32.35          1.65        2.7650    2   2   0
                32.86         26.47        2.7234    3   0   2
                33.71          1.77        2.6565    3   1   0
                34.35          7.74        2.6089    0   0   4
                34.82          2.96        2.5744    1   3   1
                34.82          5.77        2.5744    3   1   1
                35.77         10.62        2.5083    1   2   3
                35.77         17.56        2.5083    2   1   3
                37.98          3.51        2.3674    1   3   2
                37.98          1.64        2.3674    3   1   2
                39.30          2.82        2.2910    2   0   4
                41.04          3.63        2.1974    2   3   0
                41.04          1.17        2.1974    3   2   0
                41.46          3.03        2.1763    4   0   2
                41.70         24.82        2.1645    2   2   3
                41.99          1.11        2.1503    2   3   1
                41.99          8.12        2.1503    3   2   1
                42.80          5.29        2.1113    1   3   3
                42.80          8.35        2.1113    3   1   3
                43.25          1.54        2.0902    1   4   0
                44.39          2.10        2.0393    1   0   5
                44.71          4.57        2.0252    3   2   2
                45.98          1.30        1.9724    4   0   3
                46.47          2.68        1.9527    1   1   5
                46.78          4.05        1.9403    1   4   2
                47.42          7.25        1.9157    5   0   0
                48.89          1.42        1.8614    1   3   4
                50.22          5.47        1.8152    3   3   1
                50.43          2.09        1.8081    1   2   5
                50.43          2.48        1.8081    2   1   5
                50.73          1.33        1.7983    5   0   2
                51.18          2.15        1.7835    4   2   1
                51.78          1.25        1.7641    4   0   4
                52.62          3.78        1.7381    3   3   2
                52.58          2.50        1.7393    0   0   6
                53.51          2.24        1.7113    1   0   6
                53.98          1.29        1.6974    5   1   1
                55.33          2.37        1.6591    1   1   6
                55.99          1.68        1.6412    1   3   5
                55.99          1.72        1.6412    3   1   5
                56.26          1.06        1.6338    1   5   2
                56.36          4.28        1.6312    1   4   4
                56.36          2.25        1.6312    4   1   4
                57.70          3.57        1.5964    6   0   0
                59.30          1.53        1.5570    4   3   1
                59.85          5.56        1.5441    5   0   4
                62.39          1.19        1.4872    2   4   4
                62.88          1.14        1.4769    4   1   5
                63.13          1.13        1.4715    5   2   2
                63.10          2.47        1.4722    2   2   6
                66.58          1.07        1.4034    2   5   3
                67.77          1.18        1.3816    3   3   5
                71.55          1.37        1.3176    2   6   1
                73.68          1.18        1.2848    4   4   3
                77.34          1.15        1.2328    7   1   2
                77.28          1.00        1.2337    2   3   7
                88.23          1.10        1.1066    1   4   8
                88.23          1.10        1.1066    1   4   8
       XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs
  For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.