data_[Re2H4Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Re  1.9000  1.3500  0.7125
  H  2.2000  0.2500  0.0000
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.0967]
_cell_length_b [3.7118]
_cell_length_c [6.8297]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.2156]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Re(HBr2)2]
_chemical_formula_sum '[Re2 H4 Br8]'
_cell_volume [329.3753]
_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  0.0000  0.0000  0.0000  1
  H  H1  4  0.2486  0.5000  0.8076  1
  Br  Br2  4  0.0845  0.5000  0.8120  1
  Br  Br3  4  0.1486  0.0000  0.2772  1
]