data_[Bi1Cl3]
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 [P1]
_cell_length_a [8.6886]
_cell_length_b [9.3774]
_cell_length_c [16.2898]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [97.9042]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [BiCl3]
_chemical_formula_sum '[Bi1 Cl3]'
_cell_volume [1314.6256]
_cell_formula_units_Z [1]
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  0.8938  0.9111  0.4484  1
  Cl  Cl1  1  0.0904  0.7790  0.5092  1
  Cl  Cl2  1  0.6578  0.7905  0.5148  1
  Cl  Cl3  1  0.9375  0.1355  0.5276  1
]