data_[Tl4Pb6Cl16]
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 [C2/m]
_cell_length_a [14.6615]
_cell_length_b [8.8544]
_cell_length_c [7.3680]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.2567]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl2Pb3Cl8]
_chemical_formula_sum '[Tl4 Pb6 Cl16]'
_cell_volume [956.2785]
_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  0.2171  0.5000  0.5099  1
  Pb  Pb1  4  0.0000  0.2554  0.0000  1
  Pb  Pb2  2  0.0000  0.0000  0.5000  1
  Cl  Cl3  8  0.1142  0.2265  0.3293  1
  Cl  Cl4  4  0.1067  0.5000  0.8628  1
  Cl  Cl5  4  0.1088  0.0000  0.8345  1
]