data_[Cu8Bi4Cl24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Bi  2.0200  1.6000  1.0350
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.6430]
_cell_length_b [11.8814]
_cell_length_c [6.5532]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.0053]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Cu2BiCl6]
_chemical_formula_sum '[Cu8 Bi4 Cl24]'
_cell_volume [1049.1742]
_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
[
  Cu  Cu0  8  0.1306  0.4277  0.7728  1.0
  Bi  Bi1  4  0.0000  0.1020  0.7500  1.0
  Cl  Cl2  8  0.1152  0.0705  0.1249  1.0
  Cl  Cl3  8  0.1272  0.2575  0.6324  1.0
  Cl  Cl4  8  0.1301  0.4113  0.1113  1.0
]