data_[Tl9Cd6Br24]
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 [R-3m]
_cell_length_a [8.1796]
_cell_length_b [8.1796]
_cell_length_c [25.8067]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Tl3(CdBr4)2]
_chemical_formula_sum '[Tl9 Cd6 Br24]'
_cell_volume [1495.3035]
_cell_formula_units_Z [3]
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  6  0.0000  0.0000  0.1901  1
  Tl  Tl1  3  0.0000  0.0000  0.0000  1
  Cd  Cd2  6  0.0000  0.0000  0.4069  1
  Br  Br3  18  0.0240  0.5120  0.7671  1
  Br  Br4  6  0.0000  0.0000  0.3053  1
]