Eskebornite
Diffraction data computed using the structure from the paper listed below, 
along with the cell parameters refined from single crystal data of R060791
      Delgado J M, Diaz de Delgado G, Quintero M, Woolley J C
      Materials Research Bulletin 27 (1992) 367-373
      The crystal structure of copper iron selenide, CuFeSe2
      Locality: synthetic

      CELL PARAMETERS:   5.5082  5.5082 11.0190   90.000   90.000   90.000
      SPACE GROUP: P-42c     

           ATOM        X         Y         Z     OCCUPANCY  ISO(B)
            Cu     0.00000   0.00000   0.00000     1.000     0.313
            Cu     0.00000   0.00000   0.25000     1.000     1.571
            Fe     0.00000   0.50000   0.00010     1.000     0.811
            Se     0.24870   0.25970   0.12540     1.000     0.492

            X-RAY WAVELENGTH:     1.541838
            BOUNDS ON TWO THETA:    5.0  90.0
            LIMITS IMPOSED ON THE INDICES ARE:  +/-  5 +/-  5 +/- 10
            MAX. ABS. INTENSITY / VOLUME**2:      130.9747521    
            The INTENSITY cut off value is   1.00

               2-THETA      INTENSITY    D-SPACING   H   K   L
                16.09         12.16        5.5095    0   0   2
                16.09         28.19        5.5082    1   0   0
                28.06        100.00        3.1804    1   1   2
                32.51          1.15        2.7541    2   0   0
                36.47          8.86        2.4638    1   0   4
                36.47          6.28        2.4635    2   0   2
                36.47          8.86        2.4633    2   1   0
                46.63         64.81        1.9477    2   0   4
                46.64         32.25        1.9474    2   2   0
                49.65          5.17        1.8363    2   1   4
                49.65          2.32        1.8361    2   2   2
                49.65          2.08        1.8361    3   0   0
                55.30         13.24        1.6611    1   1   6
                55.31         26.12        1.6608    3   1   2
                60.60          1.13        1.5279    2   0   6
                68.07          4.58        1.3774    0   0   8
                68.09          9.00        1.3771    4   0   0
                70.48          2.40        1.3360    3   2   4
                75.18          9.63        1.2638    3   1   6
                75.19          4.75        1.2637    3   3   2
                79.77          1.23        1.2022    2   1   8
                79.78          1.23        1.2020    4   1   4
                79.79          1.02        1.2020    4   2   2
                86.56          8.61        1.1245    2   2   8
                86.57         16.98        1.1244    4   2   4
================================================================================
       XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs
  For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.