data_[Re2Br2O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Re  1.9000  1.3500  0.7125
  Br  2.9600  1.1500  0.8825
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1]
_cell_length_a [5.2348]
_cell_length_b [6.3629]
_cell_length_c [7.7747]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.2055]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [4]
_chemical_formula_structural [ReBrO3]
_chemical_formula_sum '[Re2 Br2 O6]'
_cell_volume [258.9621]
_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
[
  Re  Re0  2  0.1104  0.0602  0.2477  1.0
  Br  Br1  2  0.2781  0.4058  0.2570  1.0
  O  O2  2  0.2087  0.9306  0.0637  1.0
  O  O3  2  0.2116  0.9156  0.4244  1.0
  O  O4  2  0.2191  0.5644  0.7507  1.0
]