data_[Tl4Cd8Br24]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [14.1027]
_cell_length_b [12.7533]
_cell_length_c [7.5665]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.7052]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Tl(CdBr3)2]
_chemical_formula_sum '[Tl4 Cd8 Br24]'
_cell_volume [1337.1901]
_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  0.1283  0.7500  1.0
  Cd  Cd1  8  0.2000  0.4207  0.7787  1.0
  Br  Br2  8  0.1093  0.0725  0.1339  1.0
  Br  Br3  8  0.1268  0.4174  0.0774  1.0
  Br  Br4  8  0.1493  0.2434  0.6033  1.0
]