data_[Bi8S12Cl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Bi  2.0200  1.6000  1.0350
  S  2.5800  1.0000  0.8800
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.8269]
_cell_length_b [13.2612]
_cell_length_c [6.8615]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.1002]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Bi2S3Cl]
_chemical_formula_sum '[Bi8 S12 Cl4]'
_cell_volume [590.4432]
_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  4  0.0000  0.1450  0.5000  1.0
  Bi  Bi1  4  0.0000  0.3536  0.0000  1.0
  S  S2  8  0.2448  0.7162  0.7458  1.0
  S  S3  4  0.0954  0.0000  0.9077  1.0
  Cl  Cl4  4  0.1313  0.5000  0.3556  1.0
]