data_[Tl4Pb4Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [9.0167]
_cell_length_b [7.5757]
_cell_length_c [10.1496]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.0589]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [TlPbCl3]
_chemical_formula_sum '[Tl4 Pb4 Cl12]'
_cell_volume [689.4177]
_cell_formula_units_Z [4]
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  0.3929  0.2350  0.3423  1.0
  Pb  Pb1  4  0.0971  0.7369  0.4229  1.0
  Cl  Cl2  4  0.0929  0.5545  0.1736  1.0
  Cl  Cl3  4  0.2006  0.0725  0.0592  1.0
  Cl  Cl4  4  0.3975  0.6742  0.8895  1.0
]