data_[Tl2Cd2Cl6]
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 [Pmc2_1]
_cell_length_a [18.4381]
_cell_length_b [9.5775]
_cell_length_c [6.7032]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [TlCdCl3]
_chemical_formula_sum '[Tl2 Cd2 Cl6]'
_cell_volume [1183.7119]
_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  2  0.5000  0.3392  0.5113  1
  Cd  Cd1  2  0.5000  0.0693  0.1074  1
  Cl  Cl2  4  0.4068  0.0819  0.4056  1
  Cl  Cl3  2  0.5000  0.3158  0.9727  1
]