data_[Tl4Cu2Pb2Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Cu  1.9000  1.3500  0.8200
  Pb  2.3300  1.8000  1.1225
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [7.3613]
_cell_length_b [7.3613]
_cell_length_c [10.4678]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [107]
_chemical_formula_structural [Tl2CuPbCl6]
_chemical_formula_sum '[Tl4 Cu2 Pb2 Cl12]'
_cell_volume [567.2428]
_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  0.0000  0.5000  0.2136  1.0
  Cu  Cu1  2  0.0000  0.0000  0.0065  1.0
  Pb  Pb2  2  0.0000  0.0000  0.5051  1.0
  Cl  Cl3  8  0.2343  0.2343  0.0127  1.0
  Cl  Cl4  2  0.0000  0.0000  0.2438  1.0
  Cl  Cl5  2  0.0000  0.0000  0.7731  1.0
]