Ullmannite
      Foecker A J, Jeitschko W
      Journal of Solid State Chemistry 162 (2001) 69-78
      The atomic order of the pnictogen and chalcogen atoms in equiatomic ternary
      compounds TPnCh (T = Ni, Pd; Pn = P, As, Sb; Ch = S, Se, Te)
      Locality: synthetic
      _database_code_amcsd 0014009

      CELL PARAMETERS:    5.9341   5.9341   5.9341   90.000   90.000   90.000
      SPACE GROUP: P2_13     
      X-RAY WAVELENGTH:     1.541838
      Cell Volume:    208.961
      Density (g/cm3):      6.754
      MAX. ABS. INTENSITY / VOLUME**2:      180.7479797    
      RIR:      8.714
      RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
               2-THETA      INTENSITY    D-SPACING   H   K   L   Multiplicity
                21.17         23.96        4.1960    1   1   0        12
                26.01          9.40        3.4261    1   1   1         4
                30.12         16.22        2.9671    2   0   0         6
                33.78         33.22        2.6538    2   0   1        12
                33.78         66.78        2.6538    2   1   0        12
                37.11         55.81        2.4226    2   1   1        12
                43.12         10.92        2.0980    2   2   0        12
                48.51          6.53        1.8765    3   0   1        12
                51.05         46.82        1.7892    3   1   1        12
                53.49         11.23        1.7130    2   2   2         4
                55.86         13.15        1.6458    3   0   2        12
                55.86          3.91        1.6458    3   2   0        12
                58.17         14.53        1.5860    3   2   1        12
                58.17         13.63        1.5860    3   1   2        12
                62.62          3.96        1.4835    4   0   0         6
                66.90          3.82        1.3987    4   1   1        12
                66.90          3.06        1.3987    3   3   0        12
                68.98          1.04        1.3614    3   3   1        12
                71.04          1.69        1.3269    4   2   0        12
                71.04          1.69        1.3269    4   0   2        12
                73.07         13.32        1.2949    4   2   1        12
                73.07          2.64        1.2949    4   1   2        12
                75.08          5.17        1.2652    3   3   2        12
                79.05          2.31        1.2113    4   2   2        12
                82.97          2.55        1.1638    4   3   1        12
                82.97          2.59        1.1638    5   1   0        12
                82.97          1.51        1.1638    4   1   3        12
                84.92          8.32        1.1420    5   1   1        12
                84.92          2.67        1.1420    3   3   3         4
                88.79          8.09        1.1019    4   2   3        12
                88.79          4.14        1.1019    4   3   2        12
                88.79          4.15        1.1019    5   0   2        12
================================================================================
       XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs
  For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.