data_[Cd8Cu4Br24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Cu  1.9000  1.3500  0.8200
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [14.2034]
_cell_length_b [13.1657]
_cell_length_c [7.1174]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.7309]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Cd2CuBr6]
_chemical_formula_sum '[Cd8 Cu4 Br24]'
_cell_volume [1244.7629]
_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
[
  Cd  Cd0  8  0.2147  0.4007  0.5276  1.0
  Cu  Cu1  4  0.0000  0.1757  0.2500  1.0
  Br  Br2  8  0.1185  0.2262  0.5757  1.0
  Br  Br3  8  0.1268  0.1121  0.1272  1.0
  Br  Br4  8  0.1357  0.4309  0.1357  1.0
]