data_[Cu4Ag20Br32]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Ag  1.9300  1.6000  1.0867
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [11.6062]
_cell_length_b [11.6062]
_cell_length_c [11.6062]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [216]
_chemical_formula_structural [CuAg5Br8]
_chemical_formula_sum '[Cu4 Ag20 Br32]'
_cell_volume [1563.3843]
_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  0.2500  0.2500  0.7500  1.0
  Ag  Ag1  16  0.1234  0.1234  0.3766  1.0
  Ag  Ag2  4  0.0000  0.0000  0.0000  1.0
  Br  Br3  16  0.1263  0.1263  0.6263  1.0
  Br  Br4  16  0.1322  0.1322  0.1322  1.0
]