data_[Tl4Ge4Pb4Cl20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Ge  2.0100  1.2500  0.7700
  Pb  2.3300  1.8000  1.1225
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.2336]
_cell_length_b [11.5287]
_cell_length_c [10.1757]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.1332]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [TlGePbCl5]
_chemical_formula_sum '[Tl4 Ge4 Pb4 Cl20]'
_cell_volume [1103.9951]
_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  0.0000  0.4349  0.7500  1.0
  Ge  Ge1  4  0.0000  0.0168  0.7500  1.0
  Pb  Pb2  4  0.2500  0.2500  0.5000  1.0
  Cl  Cl3  8  0.0270  0.1598  0.5923  1.0
  Cl  Cl4  8  0.2182  0.4851  0.5887  1.0
  Cl  Cl5  4  0.0000  0.2960  0.2500  1.0
]