Safflorite
      Diffraction data computed using the structure from the paper listed below, 
      along with the cell parameters refined from single crystal data of R100115
      Yang H, Downs R T, Eichler C
      Acta Crystallographica E64 (2008) i62-i62
      Safflorite, (Co,Ni,Fe)As2, isomorphous with marcasite
      Locality: Timiskaming County, Ontario, Canada, RRUFF ID: R070611
      _database_code_amcsd 0010487

      CELL PARAMETERS:   5.2550  5.9450  2.8950   90.000   90.000   90.000
      SPACE GROUP: Pnnm      

           ATOM        X         Y         Z     OCCUPANCY  ISO(B)
            Co     0.00000   0.00000   0.00000     0.610     1.026
            Fe     0.00000   0.00000   0.00000     0.170     1.026
            Ni     0.00000   0.00000   0.00000     0.220     1.026
            As     0.18637   0.36589   0.00000     1.000     0.813

            X-RAY WAVELENGTH:     1.541838
            BOUNDS ON TWO THETA:    5.0  90.0
            LIMITS IMPOSED ON THE INDICES ARE:  +/-  4 +/-  5 +/-  2
            MAX. ABS. INTENSITY / VOLUME**2:      85.55059851    
            The INTENSITY cut off value is   1.00

               2-THETA      INTENSITY    D-SPACING   H   K   L
                22.58          7.99        3.9373    1   1   0
                30.06          7.39        2.9725    0   2   0
                34.12          5.49        2.6275    2   0   0
                34.46          8.53        2.6028    0   1   1
                34.67        100.00        2.5873    1   2   0
                35.40         70.08        2.5357    1   0   1
                37.42         27.42        2.4032    2   1   0
                38.60         82.58        2.3324    1   1   1
                46.11         11.32        1.9687    2   2   0
                47.11         11.44        1.9291    1   2   1
                49.14         20.80        1.8542    1   3   0
                49.28         59.91        1.8491    2   1   1
                54.62         29.66        1.6802    3   1   0
                56.26         38.40        1.6353    0   3   1
                56.53         26.65        1.6279    2   2   1
                58.32          4.03        1.5821    2   3   0
                59.17         12.68        1.5614    1   3   1
                61.44          2.58        1.5091    3   2   0
                61.91          5.98        1.4987    3   0   1
                62.49          3.36        1.4863    0   4   0
                64.08          2.53        1.4532    3   1   1
                64.36         15.98        1.4475    0   0   2
                67.46          1.16        1.3883    2   3   1
                70.35          5.63        1.3382    3   2   1
                71.94          1.83        1.3124    3   3   0
                73.16         11.99        1.2936    2   4   0
                73.88          5.95        1.2828    4   1   0
                74.90          1.14        1.2678    2   0   2
                75.22         16.87        1.2632    1   2   2
                76.89          5.38        1.2400    2   1   2
                79.82          1.09        1.2016    4   2   0
                82.19          2.15        1.1728    4   1   1
                82.76          2.84        1.1662    2   2   2
                83.33          2.15        1.1597    1   5   0
                85.01          6.28        1.1410    1   3   2
                88.00         12.52        1.1098    4   2   1
                89.00          4.24        1.0999    0   5   1
                89.33         11.50        1.0967    3   1   2
                89.51          2.02        1.0950    4   3   0
================================================================================
       XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs
  For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.