data_[Tl4Ni2Pb2Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Ni  1.9100  1.3500  0.7400
  Pb  2.3300  1.8000  1.1225
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [7.4284]
_cell_length_b [7.4284]
_cell_length_c [10.5260]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [107]
_chemical_formula_structural [Tl2NiPbCl6]
_chemical_formula_sum '[Tl4 Ni2 Pb2 Cl12]'
_cell_volume [580.8380]
_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  0.2904  1
  Ni  Ni1  2  0.0000  0.0000  0.9944  1
  Pb  Pb2  2  0.0000  0.0000  0.4984  1
  Cl  Cl3  8  0.2294  0.2294  0.9869  1
  Cl  Cl4  2  0.0000  0.0000  0.2219  1
  Cl  Cl5  2  0.0000  0.0000  0.7631  1
]