data_[Bi4Cl12]
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 [7.1604]
_cell_length_b [12.3464]
_cell_length_c [7.1135]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.1791]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BiCl3]
_chemical_formula_sum '[Bi4 Cl12]'
_cell_volume [593.9669]
_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  0.1668  0.5000  1.0
  Cl  Cl1  8  0.2398  0.1840  0.2686  1.0
  Cl  Cl2  4  0.2054  0.0000  0.7332  1.0
]