data_[Bi2S2Cl2]
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 [P2_1/m]
_cell_length_a [6.7831]
_cell_length_b [4.0805]
_cell_length_c [7.2295]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.0069]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [BiSCl]
_chemical_formula_sum '[Bi2 S2 Cl2]'
_cell_volume [200.0719]
_cell_formula_units_Z [2]
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  2  0.0126  0.7500  0.2260  1.0
  S  S1  2  0.2267  0.2500  0.0725  1.0
  Cl  Cl2  2  0.2322  0.7500  0.6004  1.0
]