data_[Tl4Ge4Pb4Br20]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.6752]
_cell_length_b [11.8472]
_cell_length_c [10.7960]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.2770]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [TlGePbBr5]
_chemical_formula_sum '[Tl4 Ge4 Pb4 Br20]'
_cell_volume [1254.2377]
_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  0.0682  0.7500  1.0
  Ge  Ge1  4  0.0000  0.4825  0.7500  1.0
  Pb  Pb2  4  0.2500  0.2500  0.5000  1.0
  Br  Br3  8  0.0206  0.3348  0.5861  1.0
  Br  Br4  8  0.2149  0.0116  0.5896  1.0
  Br  Br5  4  0.0000  0.2067  0.2500  1.0
]