[CIF]
data_Bi2S3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.73532500
_cell_length_b   4.02142100
_cell_length_c   11.17050300
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Bi2S3
_chemical_formula_sum   'Bi8 S12'
_cell_volume   527.16600029
_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
  Bi  Bi0  1  6.07430984  1.00535525  3.64654368  1
  Bi  Bi1  1  5.66101516  3.01606575  7.52395932  1
  Bi  Bi2  1  11.52867766  3.01606575  9.23179518  1
  Bi  Bi3  1  0.20664734  1.00535525  1.93870782  1
  Bi  Bi4  1  7.70100191  3.01606575  0.35999180  1
  Bi  Bi5  1  4.03432309  1.00535525  10.81051120  1
  Bi  Bi6  1  9.90198559  1.00535525  5.94524330  1
  Bi  Bi7  1  1.83333941  3.01606575  5.22525970  1
  S  S8  1  11.17698171  3.01606575  4.13700696  1
  S  S9  1  0.55834329  1.00535525  7.03349604  1
  S  S10  1  6.42600579  1.00535525  9.72225846  1
  S  S11  1  5.30931921  3.01606575  1.44824454  1
  S  S12  1  7.29438464  3.01606575  4.97367763  1
  S  S13  1  4.44094036  1.00535525  6.19682537  1
  S  S14  1  10.30860286  1.00535525  10.55892913  1
  S  S15  1  1.42672214  3.01606575  0.61157387  1
  S  S16  1  2.47400601  1.00535525  3.45357324  1
  S  S17  1  9.26131899  3.01606575  7.71692976  1
  S  S18  1  3.39365649  3.01606575  9.03882474  1
  S  S19  1  8.34166851  1.00535525  2.13167826  1
[/CIF]
