[CIF]
data_WSBr4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.45984500
_cell_length_b   6.48174900
_cell_length_c   13.65462499
_cell_angle_alpha   90.00000000
_cell_angle_beta   110.64093806
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   WSBr4
_chemical_formula_sum   'W4 S4 Br16'
_cell_volume   866.33117894
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  W  W0  1  3.36146216  0.43690229  12.23913827  1
  W  W1  1  2.28498584  6.04484671  0.53896773  1
  W  W2  1  -0.12171266  3.67777679  6.92802073  1
  W  W3  1  5.76816066  2.80397221  5.85008527  1
  S  S4  1  3.93739603  4.77360720  0.27665877  1
  S  S5  1  1.53069753  4.94901630  6.66571177  1
  S  S6  1  4.11575047  1.53273270  6.11239423  1
  S  S7  1  1.70905197  1.70814180  12.50144723  1
  Br  Br8  1  6.92596310  1.80617825  3.92211186  1
  Br  Br9  1  -2.24174672  1.23233605  11.52113649  1
  Br  Br10  1  -4.21846202  4.93402401  11.86582590  1
  Br  Br11  1  4.51926460  1.43469625  10.31116486  1
  Br  Br12  1  2.50396790  5.19701449  10.68344220  1
  Br  Br13  1  0.73578160  1.95613999  8.48371680  1
  Br  Br14  1  9.86491002  1.54772499  0.91228010  1
  Br  Br15  1  -1.81176352  4.78859949  5.47677290  1
  Br  Br16  1  0.16495178  2.00853845  5.13208349  1
  Br  Br17  1  1.12718340  5.04705275  2.46694114  1
  Br  Br18  1  4.91066640  4.52560901  4.29438920  1
  Br  Br19  1  -1.27951510  4.67557075  8.85599414  1
  Br  Br20  1  7.88819472  5.24941295  1.25696951  1
  Br  Br21  1  5.48149622  4.47321055  7.64602251  1
  Br  Br22  1  3.14248010  1.28473451  2.09466380  1
  Br  Br23  1  7.45821152  1.69314951  7.30133310  1
[/CIF]
