data_[Tl4Cd2Cu4Cl12]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.0121]
_cell_length_b [7.2868]
_cell_length_c [7.5447]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.1794]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl2Cd(CuCl3)2]
_chemical_formula_sum '[Tl4 Cd2 Cu4 Cl12]'
_cell_volume [605.4671]
_cell_formula_units_Z [2]
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  0.2338  0.5000  0.2088  1.0
  Cd  Cd1  2  0.0000  0.5000  0.5000  1.0
  Cu  Cu2  4  0.0570  0.0000  0.2222  1.0
  Cl  Cl3  8  0.0504  0.2526  0.7959  1.0
  Cl  Cl4  4  0.2440  0.5000  0.6539  1.0
]