data_[Cu4Bi4Cl16]
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 [7.9918]
_cell_length_b [18.4206]
_cell_length_c [6.1393]
_cell_angle_alpha [90.0000]
_cell_angle_beta [128.3380]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CuBiCl4]
_chemical_formula_sum '[Cu4 Bi4 Cl16]'
_cell_volume [708.9029]
_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  4  0.0000  0.1269  0.2500  1.0
  Bi  Bi1  4  0.0000  0.3246  0.7500  1.0
  Cl  Cl2  8  0.1925  0.1990  0.6862  1.0
  Cl  Cl3  8  0.2261  0.4220  0.7142  1.0
]