data_[Li2Tl4Pb2Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Tl  1.6200  1.9000  1.3325
  Pb  2.3300  1.8000  1.1225
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.0657]
_cell_length_b [7.5995]
_cell_length_c [12.4421]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.9208]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [LiTl2PbCl6]
_chemical_formula_sum '[Li2 Tl4 Pb2 Cl12]'
_cell_volume [560.8088]
_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
[
  Li  Li0  2  0.0000  0.0000  0.5000  1.0
  Tl  Tl1  4  0.2141  0.0815  0.2468  1.0
  Pb  Pb2  2  0.5000  0.0000  0.0000  1.0
  Cl  Cl3  4  0.1024  0.2033  0.9343  1.0
  Cl  Cl4  4  0.2379  0.6778  0.9358  1.0
  Cl  Cl5  4  0.3772  0.0541  0.7365  1.0
]