data_[Tl4Ag2Pb2Br12]
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 [P2_1/c]
_cell_length_a [7.6195]
_cell_length_b [8.0957]
_cell_length_c [13.3929]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.3841]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Tl2AgPbBr6]
_chemical_formula_sum '[Tl4 Ag2 Pb2 Br12]'
_cell_volume [681.7940]
_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  0.2209  0.5807  0.7496  1.0
  Ag  Ag1  2  0.0000  0.0000  0.5000  1.0
  Pb  Pb2  2  0.5000  0.0000  0.0000  1.0
  Br  Br3  4  0.1398  0.7048  0.4525  1.0
  Br  Br4  4  0.2573  0.1924  0.4560  1.0
  Br  Br5  4  0.3375  0.5178  0.2420  1.0
]