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 [15.7196]
_cell_length_b [8.7435]
_cell_length_c [7.4541]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.8261]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl2Pb3Cl8]
_chemical_formula_sum '[Tl4 Pb6 Cl16]'
_cell_volume [963.7906]
_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  0.2259  0.5000  0.6576  1.0
  Pb  Pb1  4  0.0000  0.2607  0.0000  1.0
  Pb  Pb2  2  0.0000  0.0000  0.5000  1.0
  Cl  Cl3  8  0.1126  0.2282  0.4012  1.0
  Cl  Cl4  4  0.1069  0.0000  0.9094  1.0
  Cl  Cl5  4  0.1117  0.5000  0.9422  1.0
]