data_[Cs4Tl2Bi2Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Tl  1.6200  1.9000  1.3325
  Bi  2.0200  1.6000  1.0350
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.3015]
_cell_length_b [8.6833]
_cell_length_c [14.5690]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.6763]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Cs2TlBiBr6]
_chemical_formula_sum '[Cs4 Tl2 Bi2 Br12]'
_cell_volume [863.6557]
_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
[
  Cs  Cs0  4  0.2695  0.5656  0.7493  1.0
  Tl  Tl1  2  0.5000  0.0000  0.0000  1.0
  Bi  Bi2  2  0.0000  0.0000  0.5000  1.0
  Br  Br3  4  0.1524  0.5177  0.2341  1.0
  Br  Br4  4  0.2251  0.2215  0.0423  1.0
  Br  Br5  4  0.3245  0.6862  0.0412  1.0
]