Nissonite
      Diffraction data computed using the structure from the paper listed below, 
      along with the cell parameters refined from single crystal data of R100068
      Groat L A, Hawthorne F C
      American Mineralogist 75 (1990) 1170-1175
      The crystal structure of nissonite
      AMCSD#0001328

      CELL PARAMETERS:  22.4950  5.0150 10.5000   90.000   99.700   90.000
      SPACE GROUP: C2/c      

           ATOM        X         Y         Z     OCCUPANCY  ISO(B)
            Cu     0.24534   0.15410   0.36677     1.000     7.568
            P      0.34370   0.17680   0.22640     1.000     6.588
            Mg     0.12260   0.15470   0.46730     1.000     5.727
            O      0.36310   0.10300   0.37020     1.000    11.363
            O      0.27700   0.29600   0.21610     1.000     7.402
            O      0.38460   0.38800   0.18330     1.000     9.122
            O      0.34050  -0.07200   0.14470     1.000    10.429
            Oh     0.21360   0.05500   0.52110     1.000     0.553
            O      0.08660  -0.13800   0.57900     1.000    12.050
            O      0.03590   0.28800   0.41320     1.000    18.568
            O      0.50000   0.20100   0.25000     1.000    21.856
            H      0.24500   0.00000   0.57800     1.000     1.184
            H      0.10500   0.00000   0.59800     1.000     1.184
            H      0.05700   0.01500   0.63900     1.000     1.184
            H      0.02300   0.43400   0.35500     1.000     1.184
            H      0.00000   0.23700   0.41500     1.000     1.184
            H      0.46000   0.26800   0.22700     1.000     1.184

            X-RAY WAVELENGTH:     1.541838
            BOUNDS ON TWO THETA:    5.0  90.0
            LIMITS IMPOSED ON THE INDICES ARE:  +/- 20 +/-  4 +/-  9
            MAX. ABS. INTENSITY / VOLUME**2:      45.00866907    
            The INTENSITY cut off value is   1.00

               2-THETA      INTENSITY    D-SPACING   H   K   L
                 7.97        100.00       11.0867    2   0   0
                17.13          1.06        5.1749    0   0   2
                19.78          4.50        4.4873   -1   1   1
                20.12          3.41        4.4129    2   0   2
                20.37         17.43        4.3603    1   1   1
                23.84          7.90        3.7318    3   1   1
                24.08          1.81        3.6956    6   0   0
                25.52          4.80        3.4906    1   1   2
                27.19          1.38        3.2801   -6   0   2
                28.82          4.47        3.0976    3   1   2
                29.25          1.31        3.0530    5   1   1
                31.16          1.69        2.8700   -1   1   3
                32.30          4.94        2.7717    8   0   0
                32.30          3.27        2.7712    1   1   3
                33.34          2.39        2.6872   -7   1   1
                33.46          2.57        2.6781    7   1   0
                34.23          1.36        2.6193   -2   0   4
                35.05          1.06        2.5599   -5   1   3
                35.37          2.99        2.5376    3   1   3
                35.48          2.21        2.5302   -7   1   2
                35.74          1.85        2.5125   -4   0   4
                36.88          1.52        2.4370    0   2   1
                38.98          1.28        2.3104   -6   0   4
                39.98          1.21        2.2550    5   1   3
                40.05          1.08        2.2512    7   1   2
                40.40          1.53        2.2326   -9   1   1
                40.81          1.83        2.2113    9   1   0
                49.04          1.33        1.8574   -6   2   3
================================================================================
       XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs
  For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.