data_[Bi8Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Bi  2.0200  1.6000  1.0350
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.7168]
_cell_length_b [4.1762]
_cell_length_c [10.4707]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.3946]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BiCl]
_chemical_formula_sum '[Bi8 Cl8]'
_cell_volume [632.9728]
_cell_formula_units_Z [8]
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  0.1687  0.0000  0.2755  1.0
  Bi  Bi1  4  0.1748  0.0000  0.9833  1.0
  Cl  Cl2  4  0.0416  0.5000  0.2175  1.0
  Cl  Cl3  4  0.2052  0.0000  0.6536  1.0
]