data_[Tl10Bi4Br24]
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 [C2/m]
_cell_length_a [18.0915]
_cell_length_b [8.5191]
_cell_length_c [10.4574]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.8365]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl5(BiBr6)2]
_chemical_formula_sum '[Tl10 Bi4 Br24]'
_cell_volume [1516.0967]
_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  0.1870  0.5000  0.8133  1.0
  Tl  Tl1  4  0.2211  0.5000  0.3782  1.0
  Tl  Tl2  2  0.0000  0.0000  0.5000  1.0
  Bi  Bi3  4  0.0000  0.2536  0.0000  1.0
  Br  Br4  8  0.1291  0.2415  0.5569  1.0
  Br  Br5  8  0.1670  0.2657  0.0880  1.0
  Br  Br6  4  0.0038  0.0000  0.1916  1.0
  Br  Br7  4  0.0070  0.5000  0.2006  1.0
]