Paakkonenite
      Diffraction data computed using the structure listed from below,
      along with the cell parameters refined from single crystal data of R090073.
      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

      CELL PARAMETERS:  10.7880  3.9780 12.5700   90.000  115.890   90.000
      SPACE GROUP: C2/m      

           ATOM        X         Y         Z     OCCUPANCY  ISO(B)
            Sb    -0.04520   0.00000   0.17550     1.000     1.961
            Sb     0.31190   0.50000   0.39790     1.000     2.850
            As    -0.10580   0.50000   0.01560     1.000     1.423
            S      0.21140   0.00000   0.23760     1.000     1.381
            S      0.09370   0.50000   0.40840     1.000     2.564

            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:      66.72026199    
            The INTENSITY cut off value is   1.00

               2-THETA      INTENSITY    D-SPACING   H   K   L
                15.67          1.03        5.6542    0   0   2
                16.43          4.28        5.3938   -2   0   1
                18.16          4.27        4.8843   -2   0   2
                22.69         41.17        3.9192   -2   0   3
                22.88         51.86        3.8866    2   0   1
                24.16         17.37        3.6842   -1   1   1
                24.18         13.98        3.6808    1   1   0
                26.62          1.24        3.3487   -1   1   2
                26.68          3.76        3.3410    1   1   1
                28.78          3.42        3.1019   -2   0   4
                31.02        100.00        2.8829   -1   1   3
                31.11         67.16        2.8748    1   1   2
                31.65          1.40        2.8271    0   0   4
                33.22         59.91        2.6969   -4   0   2
                33.81          8.68        2.6511   -3   1   2
                33.86          2.97        2.6473   -3   1   1
                34.25          2.32        2.6184   -4   0   1
                39.10         20.51        2.3040   -3   1   4
                39.32         30.53        2.2915    3   1   1
                39.86         26.23        2.2617    0   0   5
                43.25          1.57        2.0920   -2   0   6
                43.35          6.64        2.0873   -1   1   5
                43.47         18.63        2.0817    1   1   4
                44.16          1.26        2.0508    3   1   2
                45.61         24.19        1.9890    0   2   0
                46.74          1.62        1.9433    4   0   2
                48.12          4.71        1.8911   -5   1   3
                49.47          1.46        1.8424   -5   1   4
                49.65          2.25        1.8360   -5   1   1
                49.69         11.68        1.8348   -3   1   6
                50.02          5.50        1.8235    3   1   3
                50.78          1.01        1.7979   -6   0   3
                51.53          6.77        1.7737   -2   2   3
                51.62          8.83        1.7706    2   2   1
                52.16         20.23        1.7536   -5   1   5
                52.45         14.14        1.7445    5   1   0
                52.59          9.59        1.7401   -4   0   7
                53.06          8.04        1.7259    4   0   3
                53.34          1.77        1.7176   -6   0   5
                53.62          4.77        1.7093   -6   0   1
                56.52          1.45        1.6281   -6   0   6
                57.58         18.11        1.6007   -4   2   2
                59.60          4.77        1.5511   -2   0   8
                59.91          5.22        1.5440    2   0   6
                61.47          5.00        1.5085    5   1   2
                62.15         10.41        1.4936    0   2   5
                65.00          1.40        1.4348   -7   1   4
                66.86          4.15        1.3994   -1   1   8
                67.01          1.30        1.3966    1   1   7
                68.34          1.31        1.3727   -7   1   6
                68.69          1.59        1.3665   -7   1   1
                69.74          2.91        1.3485   -8   0   4
                72.12          5.56        1.3097   -4   2   7
                72.15          1.82        1.3091    3   1   6
                72.51          4.74        1.3035    4   2   3
                72.75          1.03        1.3000   -6   2   5
                72.98          2.80        1.2964   -6   2   1
                75.16          4.32        1.2640   -1   3   3
                75.21          2.89        1.2633    1   3   2
                76.04          1.83        1.2517   -7   1   8
                76.64          1.07        1.2433    7   1   1
                78.14          3.31        1.2232   -2   2   8
                78.41          3.63        1.2197    2   2   6
                79.42          1.04        1.2067   -6   0  10
                79.91          1.43        1.2005   -3   3   4
                80.05          2.19        1.1987    3   3   1
                80.21          1.50        1.1967    6   0   4
                81.21          2.46        1.1845   -5   1  10
                82.83          1.63        1.1654    1   3   4
                83.08          1.40        1.1625   -8   0   9
                85.74          3.02        1.1331    1   1   9
                87.36          1.35        1.1162   -3   3   6
                89.28          2.62        1.0972   -5   3   5
                89.51          1.86        1.0949    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.