data_[Cu8Br10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P6_3/mcm]
_cell_length_a [7.7330]
_cell_length_b [7.7330]
_cell_length_c [7.3700]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [193]
_chemical_formula_structural [Cu4Br5]
_chemical_formula_sum '[Cu8 Br10]'
_cell_volume [381.6804]
_cell_formula_units_Z [2]
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  6  0.0000  0.4367  0.2500  1
  Cu  Cu1  2  0.0000  0.0000  0.0000  1
  Br  Br2  6  0.0000  0.2469  0.7500  1
  Br  Br3  4  0.3333  0.6667  0.5000  1
]