data_[Re2Br13]
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
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.9138]
_cell_length_b [9.4541]
_cell_length_c [9.4862]
_cell_angle_alpha [104.7298]
_cell_angle_beta [106.8039]
_cell_angle_gamma [104.3415]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Re2Br13]
_chemical_formula_sum '[Re2 Br13]'
_cell_volume [538.4130]
_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
[
  Re  Re0  2  0.2963  0.2967  0.1426  1.0
  Br  Br1  2  0.0660  0.3518  0.2874  1.0
  Br  Br2  2  0.0892  0.3563  0.9233  1.0
  Br  Br3  2  0.1409  0.0455  0.4549  1.0
  Br  Br4  2  0.4432  0.4453  0.7242  1.0
  Br  Br5  2  0.4775  0.1948  0.3441  1.0
  Br  Br6  2  0.4955  0.7914  0.0102  1.0
  Br  Br7  1  0.0000  0.0000  0.0000  1.0
]