data_[Tl4Re2I4Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Re  1.9000  1.3500  0.7125
  I  2.6600  1.4000  1.2733
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.4865]
_cell_length_b [7.5283]
_cell_length_c [7.6604]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.4979]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl2Re(IBr2)2]
_chemical_formula_sum '[Tl4 Re2 I4 Br8]'
_cell_volume [648.5842]
_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  0.2489  0.5000  0.7051  1.0
  Re  Re1  2  0.0000  0.0000  0.5000  1.0
  I  I2  4  0.2388  0.0000  0.8071  1.0
  Br  Br3  8  0.0342  0.2368  0.3038  1.0
]