data_[Cs1Tl2Re1Br8]
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
  Re  1.9000  1.3500  0.7125
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.5259]
_cell_length_b [9.9307]
_cell_length_c [7.7768]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.3970]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [CsTl2ReBr8]
_chemical_formula_sum '[Cs1 Tl2 Re1 Br8]'
_cell_volume [462.5462]
_cell_formula_units_Z [1]
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  1  0.0000  0.5000  0.0000  1.0
  Tl  Tl1  2  0.0000  0.2623  0.5000  1.0
  Re  Re2  1  0.0000  0.0000  0.0000  1.0
  Br  Br3  4  0.2479  0.1777  0.2133  1.0
  Br  Br4  2  0.2277  0.0000  0.8092  1.0
  Br  Br5  2  0.3088  0.5000  0.6924  1.0
]