data_[Cu8Sb4Br24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Sb  2.0500  1.4500  0.8300
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [14.7295]
_cell_length_b [13.6860]
_cell_length_c [7.4198]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.1890]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Cu2SbBr6]
_chemical_formula_sum '[Cu8 Sb4 Br24]'
_cell_volume [1384.9852]
_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  0.2221  0.4639  0.7939  1.0
  Sb  Sb1  4  0.0000  0.1040  0.7500  1.0
  Br  Br2  8  0.1151  0.2234  0.6804  1.0
  Br  Br3  8  0.1219  0.0962  0.1617  1.0
  Br  Br4  8  0.1254  0.4943  0.4625  1.0
]