data_[Tl4Re4Br16]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.1477]
_cell_length_b [15.1535]
_cell_length_c [7.7649]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.2364]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [TlReBr4]
_chemical_formula_sum '[Tl4 Re4 Br16]'
_cell_volume [910.4541]
_cell_formula_units_Z [4]
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  0.0000  0.4176  0.7500  1
  Re  Re1  4  0.0000  0.0693  0.2500  1
  Br  Br2  8  0.1912  0.1860  0.2530  1
  Br  Br3  8  0.1943  0.0511  0.7468  1
]