data_[Tl4Cd4Cu8Br24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  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 [14.1877]
_cell_length_b [13.6103]
_cell_length_c [7.9900]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.1030]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [TlCd(CuBr3)2]
_chemical_formula_sum '[Tl4 Cd4 Cu8 Br24]'
_cell_volume [1429.4671]
_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
[
  Tl  Tl0  4  0.0000  0.1316  0.2500  1.0
  Cd  Cd1  4  0.0000  0.2070  0.7500  1.0
  Cu  Cu2  8  0.1876  0.4444  0.1911  1.0
  Br  Br3  8  0.1211  0.2764  0.0602  1.0
  Br  Br4  8  0.1227  0.0713  0.6794  1.0
  Br  Br5  8  0.1416  0.4392  0.4512  1.0
]