data_[Cu8Bi4Br24]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.6075]
_cell_length_b [12.1311]
_cell_length_c [7.1465]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.7779]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Cu2BiBr6]
_chemical_formula_sum '[Cu8 Bi4 Br24]'
_cell_volume [1158.9025]
_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  0.1758  0.4283  0.8171  1.0
  Bi  Bi1  4  0.0000  0.1107  0.7500  1.0
  Br  Br2  8  0.1224  0.0807  0.1280  1.0
  Br  Br3  8  0.1267  0.2641  0.6260  1.0
  Br  Br4  8  0.1372  0.4151  0.1235  1.0
]