Powellite
      Diffraction data computed using the structure from the paper listed below, 
      along with the cell parameters refined from single crystal data of R100180
      Hazen R M, Finger L W, Mariathasan J W E
      Journal of Physics and Chemistry of Solids 46 (1985) 253-263
      High-pressure crystal chemistry of scheelite-type tungstates and molybdates
      Note: P = 0.0001 GPa
      Note: B(2,2) altered from .0012 in order to match Biso
      _database_code_amcsd 0013207

      CELL PARAMETERS:   5.2390  5.2390 11.4570   90.000   90.000   90.000
      ALTERNATE SETTING FOR SPACE GROUP: I4_1/a    

           ATOM        X         Y         Z     OCCUPANCY  ISO(B)
            Ca     0.00000   0.25000   0.62500     1.000     0.880
            Mo     0.00000   0.25000   0.12500     1.000     0.770
            O      0.14900   0.00690   0.20890     1.000     1.020

            X-RAY WAVELENGTH:     1.541838
            BOUNDS ON TWO THETA:    5.0  90.0
            LIMITS IMPOSED ON THE INDICES ARE:  +/-  4 +/-  4 +/- 10
            MAX. ABS. INTENSITY / VOLUME**2:      96.06108273    
            The INTENSITY cut off value is   1.00

               2-THETA      INTENSITY    D-SPACING   H   K   L
                18.62         30.89        4.7645    1   0   1
                28.70        100.00        3.1107    1   1   2
                28.93         13.42        3.0861    1   0   3
                31.23         11.01        2.8642    0   0   4
                34.23         14.39        2.6195    2   0   0
                39.25          8.23        2.2954    2   1   1
                39.78          3.79        2.2659    1   1   4
                45.41          3.26        1.9971    1   2   3
                47.01         29.32        1.9330    2   0   4
                49.19         12.23        1.8523    2   2   0
                54.03         13.78        1.6973    1   1   6
                56.15          1.71        1.6382    2   1   5
                56.15          2.50        1.6382    1   2   5
                57.95         13.28        1.5915    3   1   2
                57.95          8.55        1.5915    1   3   2
                59.43          8.95        1.5554    2   2   4
                64.66          2.09        1.4415    3   2   1
                65.14          1.25        1.4321    0   0   8
                67.43          1.49        1.3889    3   0   5
                69.17          1.73        1.3581    2   3   3
                70.14          1.10        1.3417    1   2   7
                72.12          2.73        1.3097    4   0   0
                75.69          5.38        1.2566    2   0   8
                76.06          6.36        1.2514    1   3   6
                76.06          2.98        1.2514    3   1   6
                79.38          3.95        1.2071    3   3   2
                80.66          3.52        1.1911    4   0   4
                82.31          2.08        1.1715    4   2   0
                82.31          1.95        1.1715    2   4   0
                85.76          2.79        1.1330    2   2   8
                89.55          2.77        1.0945    1   1  10
================================================================================
       XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs
  For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.