data_[Bi2Cl6]
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 [Pc]
_cell_length_a [7.3926]
_cell_length_b [19.1412]
_cell_length_c [7.3525]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.5673]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [7]
_chemical_formula_structural [BiCl3]
_chemical_formula_sum '[Bi2 Cl6]'
_cell_volume [991.8847]
_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  0.0000  0.0020  0.0016  1
  Cl  Cl1  2  0.2557  0.0525  0.8077  1
  Cl  Cl2  2  0.7443  0.0523  0.6524  1
  Cl  Cl3  2  1.0000  0.1082  0.2885  1
]