data_[Tl12Cd4Cl24]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [12.1864]
_cell_length_b [15.1178]
_cell_length_c [7.3024]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Tl3CdCl6]
_chemical_formula_sum '[Tl12 Cd4 Cl24]'
_cell_volume [1345.3409]
_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  8  0.1811  0.1018  0.0259  1.0
  Tl  Tl1  4  0.0000  0.4149  0.1109  1.0
  Cd  Cd2  4  0.0000  0.2055  0.4723  1.0
  Cl  Cl3  8  0.1405  0.4691  0.8222  1.0
  Cl  Cl4  8  0.1509  0.2788  0.2868  1.0
  Cl  Cl5  4  0.0000  0.0497  0.3562  1.0
  Cl  Cl6  4  0.0000  0.2215  0.8055  1.0
]