data_[Ce8Bi4Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  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 [16.4830]
_cell_length_b [4.4524]
_cell_length_c [11.4244]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.0944]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce2BiCl3]
_chemical_formula_sum '[Ce8 Bi4 Cl12]'
_cell_volume [782.2486]
_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
[
  Ce  Ce0  4  0.0231  0.5000  0.1933  1.0
  Ce  Ce1  4  0.2298  0.0000  0.8284  1.0
  Bi  Bi2  4  0.1173  0.0000  0.0249  1.0
  Cl  Cl3  4  0.0389  0.0000  0.3457  1.0
  Cl  Cl4  4  0.1272  0.5000  0.7131  1.0
  Cl  Cl5  4  0.1997  0.5000  0.3501  1.0
]