data_[Cu8Ag4Br24]
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 [C2/c]
_cell_length_a [12.5866]
_cell_length_b [11.0313]
_cell_length_c [7.4538]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.9946]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Cu2AgBr6]
_chemical_formula_sum '[Cu8 Ag4 Br24]'
_cell_volume [1034.7861]
_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  0.1860  0.4297  0.8056  1.0
  Ag  Ag1  4  0.0000  0.1006  0.7500  1.0
  Br  Br2  8  0.1224  0.0722  0.1500  1.0
  Br  Br3  8  0.1278  0.2608  0.6285  1.0
  Br  Br4  8  0.1343  0.4102  0.1083  1.0
]