data_[Rb2Tl1Re1Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  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 [P-1]
_cell_length_a [7.1257]
_cell_length_b [8.5515]
_cell_length_c [8.9568]
_cell_angle_alpha [77.3057]
_cell_angle_beta [74.3323]
_cell_angle_gamma [70.4786]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Rb2TlReBr8]
_chemical_formula_sum '[Rb2 Tl1 Re1 Br8]'
_cell_volume [490.2251]
_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
[
  Rb  Rb0  2  0.3719  0.3665  0.8044  1.0
  Tl  Tl1  1  0.0000  0.0000  0.5000  1.0
  Re  Re2  1  0.0000  0.0000  0.0000  1.0
  Br  Br3  2  0.1581  0.6872  0.0551  1.0
  Br  Br4  2  0.2124  0.6538  0.5042  1.0
  Br  Br5  2  0.2353  0.0501  0.1392  1.0
  Br  Br6  2  0.2547  0.0113  0.7425  1.0
]