data_[Tl4Cd8Cu4Br24]
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 [14.3981]
_cell_length_b [14.0496]
_cell_length_c [8.0001]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.0026]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [TlCd2CuBr6]
_chemical_formula_sum '[Tl4 Cd8 Cu4 Br24]'
_cell_volume [1500.4559]
_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  0.1165  0.2500  1.0
  Cd  Cd1  8  0.1874  0.4238  0.1805  1.0
  Cu  Cu2  4  0.0000  0.2156  0.7500  1.0
  Br  Br3  8  0.1130  0.2570  0.0418  1.0
  Br  Br4  8  0.1152  0.0826  0.6873  1.0
  Br  Br5  8  0.1300  0.4285  0.4645  1.0
]