Bunsenite
      Diffraction data computed using the structure from the paper listed below, 
            along with the cell parameters refined from single crystal data of R080121
      Wyckoff R W G
      Crystal Structures 1 (1963) 85-237
      Second edition. Interscience Publishers, New York, New York
      rocksalt structure

      CELL PARAMETERS:   4.1640  4.1640  4.1640   90.000   90.000   90.000
      SPACE GROUP: Fm3m      

           ATOM        X         Y         Z     OCCUPANCY  ISO(B)
            Ni     0.00000   0.00000   0.00000     1.000     0.700
            O      0.50000   0.50000   0.50000     1.000     1.000

            X-RAY WAVELENGTH:     1.541838
            BOUNDS ON TWO THETA:    5.0  90.0
            LIMITS IMPOSED ON THE INDICES ARE:  +/-  3 +/-  3 +/-  3
            MAX. ABS. INTENSITY / VOLUME**2:      133.6080230    
            The INTENSITY cut off value is   1.00

               2-THETA      INTENSITY    D-SPACING   H   K   L
                37.41         78.31        2.4041    1   1   1
                43.47        100.00        2.0820    2   0   0
                63.16         52.77        1.4722    2   2   0
                75.76         25.53        1.2555    3   1   1
                79.78         15.01        1.2020    2   2   2
================================================================================
       XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs
  For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.