Barringerite
Diffraction data computed using the structure from the paper listed below,
along with the cell parameters refined from single crystal data of R070439
      Hendricks S B, Kosting P R
      Zeitschrift fur Kristallographie 74 (1930) 511-533
      The crystal structure of Fe2P, Fe2N, Fe3N and FeB
      Locality: synthetic

      CELL PARAMETERS:   5.8780  5.8780  3.4760   90.000   90.000  120.000
      SPACE GROUP: P-62m     

           ATOM        X         Y         Z     OCCUPANCY  ISO(B)
            Fe     0.26000   0.26000   0.00000     1.000     0.700
            Fe     0.40000   0.00000   0.50000     1.000     0.700
            P      0.00000   0.00000   0.50000     1.000     0.500
            P      0.33333   0.66667   0.12500     0.500     0.500

            X-RAY WAVELENGTH:     1.541838
            BOUNDS ON TWO THETA:    0.0  90.0
            LIMITS IMPOSED ON THE INDICES ARE:  +/-  4 +/-  4 +/-  3
            MAX. ABS. INTENSITY / VOLUME**2:      100.0021260    
            The INTENSITY cut off value is   1.00

               2-THETA      INTENSITY    D-SPACING   H   K   L
                17.42          1.71        5.0905    1   0   0
                30.41          4.42        2.9390    1   1   0
                31.16          4.10        2.8706    1   0   1
                35.26          1.64        2.5452    2   0   0
                40.18        100.00        2.2443    1   1   1
                44.10         49.54        2.0536    2   0   1
                47.24         36.41        1.9240    2   1   0
                52.66         15.95        1.7380    0   0   2
                54.04         21.34        1.6968    3   0   0
                54.51         10.97        1.6834    2   1   1
                55.90          1.11        1.6448    1   0   2
                62.04          4.49        1.4960    1   1   2
                64.97          1.46        1.4353    2   0   2
                66.19          5.55        1.4118    3   1   0
                69.44          3.03        1.3535    2   2   1
                72.22          8.23        1.3081    3   1   1
                73.42         14.02        1.2897    2   1   2
                74.57          1.73        1.2726    4   0   0
                78.83          6.77        1.2141    3   0   2
                80.35          3.33        1.1950    4   0   1
                88.28          4.59        1.1070    3   2   1
                89.42          4.17        1.0958    3   1   2
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       XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs
  For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.