data_[Tl4Ag8Pb4Br24]
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 [14.4231]
_cell_length_b [12.8970]
_cell_length_c [7.8768]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.7984]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [TlAg2PbBr6]
_chemical_formula_sum '[Tl4 Ag8 Pb4 Br24]'
_cell_volume [1447.9631]
_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  0.3307  0.7500  1.0
  Ag  Ag1  8  0.2112  0.3991  0.2475  1.0
  Pb  Pb2  4  0.0000  0.0893  0.2500  1.0
  Br  Br3  8  0.1075  0.1059  0.6157  1.0
  Br  Br4  8  0.1301  0.4810  0.4972  1.0
  Br  Br5  8  0.1410  0.2175  0.1208  1.0
]