Metacinnabar
Diffraction data computed using the structure from the paper listed below, 
along with the cell parameters refined from single crystal data of R060950
      Wyckoff R W G
      Crystal Structures 1 (1963) 85-237
      Second edition. Interscience Publishers, New York, New York
      Note: ZnS structure, sphalerite structure

      CELL PARAMETERS:   5.8410  5.8410  5.8410   90.000   90.000   90.000
      SPACE GROUP: F-43m     

           ATOM        X         Y         Z     OCCUPANCY  ISO(B)
            Hg     0.00000   0.00000   0.00000     1.000     1.000
            S      0.25000   0.25000   0.25000     1.000     1.000

            X-RAY WAVELENGTH:     1.541838
            BOUNDS ON TWO THETA:    5.0  90.0
            LIMITS IMPOSED ON THE INDICES ARE:  +/-  5 +/-  5 +/-  5
            MAX. ABS. INTENSITY / VOLUME**2:      589.2895121    
            The INTENSITY cut off value is   1.00

               2-THETA      INTENSITY    D-SPACING   H   K   L
                26.43        100.00        3.3723    1   1   1
                30.61         34.32        2.9205    2   0   0
                43.84         47.90        2.0651    2   2   0
                51.92         43.14        1.7611    3   1   1
                54.41          8.71        1.6862    2   2   2
                63.73          7.06        1.4603    4   0   0
                70.24         15.85        1.3400    3   3   1
                72.35         10.24        1.3061    4   2   0
                80.57         13.30        1.1923    4   2   2
                86.60          2.83        1.1241    3   3   3
                86.60          8.48        1.1241    5   1   1
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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.