data_[Tl4Ag4Pb4Br20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Ag  1.9300  1.6000  1.0867
  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 [8.8928]
_cell_length_b [13.4305]
_cell_length_c [10.9953]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.4305]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [TlAgPbBr5]
_chemical_formula_sum '[Tl4 Ag4 Pb4 Br20]'
_cell_volume [1222.4155]
_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  0.3303  0.2500  1.0
  Ag  Ag1  4  0.0000  0.3264  0.7500  1.0
  Pb  Pb2  4  0.0000  0.0000  0.0000  1.0
  Br  Br3  8  0.0852  0.2081  0.5919  1.0
  Br  Br4  8  0.1559  0.4568  0.9322  1.0
  Br  Br5  4  0.0000  0.0786  0.2500  1.0
]