data_[Re4Br4O14]
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 [C2/m]
_cell_length_a [11.3931]
_cell_length_b [12.1218]
_cell_length_c [4.8492]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.6440]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Re2Br2O7]
_chemical_formula_sum '[Re4 Br4 O14]'
_cell_volume [668.9877]
_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  4  0.1547  0.0000  0.8785  1
  Br  Br1  4  0.0000  0.4049  0.5000  1
  O  O2  8  0.2320  0.1155  0.9846  1
  O  O3  4  0.1462  0.0000  0.5210  1
  O  O4  2  0.0000  0.0000  0.0000  1
]