data_[Tl2Ni2Pb2Cl12]
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 [C2]
_cell_length_a [7.0172]
_cell_length_b [12.0249]
_cell_length_c [6.5621]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.2829]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [TlNiPbCl6]
_chemical_formula_sum '[Tl2 Ni2 Pb2 Cl12]'
_cell_volume [553.5750]
_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  0.0000  0.0074  0.0000  1.0
  Ni  Ni1  2  0.0000  0.6658  0.5000  1.0
  Pb  Pb2  2  0.0000  0.3243  0.5000  1.0
  Cl  Cl3  4  0.1336  0.5347  0.7021  1.0
  Cl  Cl4  4  0.1358  0.7975  0.7007  1.0
  Cl  Cl5  4  0.2153  0.1695  0.7282  1.0
]