data_[Cs12Tl8Cd16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Tl  1.6200  1.9000  1.3325
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [15.9533]
_cell_length_b [13.1786]
_cell_length_c [8.3030]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.4930]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Cs3(TlCd2)2]
_chemical_formula_sum '[Cs12 Tl8 Cd16]'
_cell_volume [1697.4659]
_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
[
  Cs  Cs0  8  0.1105  0.1425  0.0969  1.0
  Cs  Cs1  4  0.0000  0.4165  0.7500  1.0
  Tl  Tl2  8  0.1684  0.3481  0.4415  1.0
  Cd  Cd3  8  0.1455  0.1616  0.6341  1.0
  Cd  Cd4  8  0.2094  0.4580  0.1428  1.0
]