Pentlandite
Diffraction data computed using the structure from the paper listed below,
along with the cell parameters refined from the powder pattern for R060144
      Pearson A D, Buerger M J
      American Mineralogist 41 (1956) 804-805
      Confirmation of the crystal structure of pentlandite.

      CELL PARAMETERS:   10.04408   10.04408   10.04408   90.00000   90.00000   90.00000
      SPACE GROUP: Fm3m
      X-RAY WAVELENGTH:     1.541838
               2-THETA      INTENSITY    D-SPACING   H   K   L
                15.31         37.49        5.7990    1   1   1
                17.69          6.00        5.0220    2   0   0
                25.10          5.03        3.5511    2   2   0
                29.52         95.52        3.0284    3   1   1
                30.86         20.55        2.8995    2   2   2
                35.78          7.58        2.5110    4   0   0
                39.11          9.67        2.3043    3   3   1
                40.16          2.66        2.2459    4   2   0
                44.18          1.97        2.0502    4   2   2
                47.02         23.61        1.9330    5   1   1
                47.02          7.87        1.9330    3   3   3
                51.47        100.00        1.7756    4   4   0
                54.01          6.72        1.6978    5   3   1
                60.43          9.87        1.5317    5   3   3
                61.20          5.71        1.5142    6   2   2
                64.24          1.63        1.4497    4   4   4
                66.46          1.60        1.4065    7   1   1
                66.46          1.60        1.4065    5   5   1
                72.23         10.38        1.3076    7   3   1
                72.23          5.19        1.3076    5   5   3
                75.74         12.81        1.2555    8   0   0
                83.28          6.45        1.1598    7   5   1
                83.28          1.07        1.1598    5   5   5
                83.96          2.12        1.1521    6   6   2
                86.67          1.57        1.1230    8   4   0
                88.69          1.23        1.1025    7   5   3
                88.69          1.23        1.1025    7   5   3
       XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs
  For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.