data_Re2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.57
_cell_length_b   5.57
_cell_length_c   7.33
_cell_angle_alpha   115.68
_cell_angle_beta   115.68
_cell_angle_gamma   30.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Re2Br
_chemical_formula_sum   'Re4 Br2'
_cell_volume   103.33
_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  Re2  1  0.21  0.0  0.29  1.0
  Re  Re3  1  0.97  0.0  0.96  1.0
  Re  Re4  1  0.21  0.0  0.19  1.0
  Re  Re5  1  0.12  0.0  0.96  1.0
  Br  Br0  1  0.93  0.0  0.39  1.0
  Br  Br1  1  0.24  0.0  0.31  1.0

data_Re2Br
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.93
_cell_length_b   5.57
_cell_length_c   7.03
_cell_angle_alpha   70.07
_cell_angle_beta   77.95
_cell_angle_gamma   74.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Re2Br
_chemical_formula_sum   'Re4 Br2'
_cell_volume   103.33
_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  1  0.0  0.01  0.96  1.0
  Re  Re1  1  0.0  0.01  0.19  1.0
  Re  Re2  1  0.0  0.16  0.96  1.0
  Re  Re3  1  0.0  0.92  0.29  1.0
  Br  Br4  1  0.0  0.54  0.39  1.0
  Br  Br5  1  0.0  0.93  0.31  1.0

Re Re Re Re Br Br