Paakkonenite
      Diffraction data computed using the structure from the paper listed below, 
      along with the cell parameters refined from single crystal data of R060709
      Bonazzi P, Borrini D, Mazzi F, Olmi F
      American Mineralogist 80 (1995) 1054-1058
      Crystal structure and twinning of Sb2AsS2, the synthetic analogue of
      paakkonenite
      _database_code_amcsd 0001758

      CELL PARAMETERS:  10.7210  3.9610 12.4540   90.000  115.240   90.000
      SPACE GROUP: C2/m      

           ATOM        X         Y         Z     OCCUPANCY  ISO(B)
            Sb    -0.04520   0.00000   0.17550     1.000     1.955
            Sb     0.31190   0.50000   0.39790     1.000     2.841
            As    -0.10580   0.50000   0.01560     1.000     1.416
            S      0.21140   0.00000   0.23760     1.000     1.378
            S      0.09370   0.50000   0.40840     1.000     2.562

            X-RAY WAVELENGTH:     1.541838
            BOUNDS ON TWO THETA:    5.0  90.0
            LIMITS IMPOSED ON THE INDICES ARE:  +/-  8 +/-  3 +/- 10
            MAX. ABS. INTENSITY / VOLUME**2:      67.36072981    
            The INTENSITY cut off value is   1.00

               2-THETA      INTENSITY    D-SPACING   H   K   L
                15.73          1.04        5.6325    0   0   2
                16.54          4.29        5.3604   -2   0   1
                18.36          4.24        4.8321   -2   0   2
                22.85         53.05        3.8917    2   0   1
                22.95         40.74        3.8745   -2   0   3
                24.27         14.11        3.6669    1   1   0
                24.28         17.48        3.6651   -1   1   1
                26.75          3.81        3.3323    1   1   1
                26.79          1.24        3.3282   -1   1   2
                29.10          3.39        3.0691   -2   0   4
                31.18         68.06        2.8688    1   1   2
                31.22        100.00        2.8645   -1   1   3
                31.77          1.41        2.8163    0   0   4
                33.43         59.92        2.6802   -4   0   2
                34.01          3.00        2.6361   -3   1   1
                34.04          8.68        2.6341   -3   1   2
                34.36          2.35        2.6100   -4   0   1
                39.35         31.05        2.2897    3   1   1
                39.47         20.29        2.2831   -3   1   4
                40.02         26.40        2.2530    0   0   5
                43.56         18.88        2.0776    1   1   4
                43.63          6.62        2.0746   -1   1   5
                43.65          1.55        2.0737   -2   0   6
                44.16          1.28        2.0507    3   1   2
                45.82         24.29        1.9805    0   2   0
                46.68          1.67        1.9458    4   0   2
                48.46          4.69        1.8785   -5   1   3
                49.81          2.27        1.8306   -5   1   1
                49.91          1.45        1.8272   -5   1   4
                50.01          5.62        1.8239    3   1   3
                50.18         11.50        1.8179   -3   1   6
                51.12          1.01        1.7868   -6   0   3
                51.79          8.90        1.7651    2   2   1
                51.85          6.75        1.7635   -2   2   3
                52.54         14.35        1.7419    5   1   0
                52.69         19.87        1.7371   -5   1   5
                52.98          8.25        1.7284    4   0   3
                53.23          9.36        1.7209   -4   0   7
                53.75          4.82        1.7054   -6   0   1
                53.90          1.74        1.7010   -6   0   5
                57.19          1.41        1.6107   -6   0   6
                57.89         18.11        1.5928   -4   2   2
                59.94          5.32        1.5432    2   0   6
                60.10          4.72        1.5394   -2   0   8
                61.45          5.11        1.5090    5   1   2
                62.43         10.44        1.4875    0   2   5
                65.49          1.38        1.4253   -7   1   4
                67.19          1.31        1.3933    1   1   7
                67.27          4.14        1.3918   -1   1   8
                68.87          1.60        1.3633   -7   1   1
                69.06          1.28        1.3601   -7   1   6
                70.24          2.88        1.3401   -8   0   4
                72.17          1.86        1.3090    3   1   6
                72.60          4.82        1.3022    4   2   3
                72.81          5.47        1.2990   -4   2   7
                73.25          2.82        1.2923   -6   2   1
                73.37          1.02        1.2904   -6   2   5
                75.55          2.90        1.2585    1   3   2
                75.58          4.32        1.2581   -1   3   3
                76.67          1.09        1.2429    7   1   1
                76.99          1.79        1.2385   -7   1   8
                78.59          3.68        1.2173    2   2   6
                78.73          3.29        1.2154   -2   2   8
                80.07          1.54        1.1984    6   0   4
                80.37          2.20        1.1947    3   3   1
                80.45          1.43        1.1937   -3   3   4
                80.50          1.01        1.1932   -6   0  10
                82.21          2.40        1.1726   -5   1  10
                83.19          1.64        1.1612    1   3   4
                84.23          1.36        1.1495   -8   0   9
                86.02          3.05        1.1302    1   1   9
                88.04          1.35        1.1094   -3   3   6
                89.88          1.88        1.0914    5   3   0
================================================================================
       XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs
  For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.