data_Re2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.03
_cell_length_b   8.03
_cell_length_c   2.84
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   147.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Re2Br
_chemical_formula_sum   'Re4 Br2'
_cell_volume   97.33
_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  0.22  0.13  0.13  1.0
  Re  Re3  1  0.22  0.87  0.71  1.0
  Re  Re4  1  0.22  0.2  0.13  1.0
  Re  Re5  1  0.22  0.8  0.71  1.0
  Br  Br0  1  0.22  0.16  0.13  1.0
  Br  Br1  1  0.22  0.84  0.71  1.0

data_Re2Br
_symmetry_space_group_name_H-M   P-1
_cell_length_a   2.84
_cell_length_b   4.43
_cell_length_c   8.03
_cell_angle_alpha   106.02
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Re2Br
_chemical_formula_sum   'Re4 Br2'
_cell_volume   97.33
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  0.29  0.13  0.13  1.0
  Re  Re1  2  0.29  0.2  0.2  1.0
  Br  Br2  2  0.29  0.16  0.16  1.0

Re Re Re Re Br Br