data_[Tl4Bi2Br10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [Cm]
_cell_length_a [13.6231]
_cell_length_b [8.2202]
_cell_length_c [8.2274]
_cell_angle_alpha [90.0000]
_cell_angle_beta [126.1942]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Tl2BiBr5]
_chemical_formula_sum '[Tl4 Bi2 Br10]'
_cell_volume [743.5410]
_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  2  0.3201  0.0000  0.8560  1.0
  Tl  Tl1  2  0.3205  0.5000  0.3207  1.0
  Bi  Bi2  2  0.4924  0.5000  0.9880  1.0
  Br  Br3  4  0.4472  0.2533  0.7046  1.0
  Br  Br4  4  0.4814  0.2560  0.2287  1.0
  Br  Br5  2  0.2328  0.0000  0.1919  1.0
]