data_ReBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.63
_cell_length_b   3.3
_cell_length_c   7.82
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReBr
_chemical_formula_sum   'Re4 Br4'
_cell_volume   222.65
_cell_formula_units_Z   4
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  Re4  1  0.58  0.47  0.34  1.0
  Re  Re5  1  0.74  0.82  0.25  1.0
  Re  Re6  1  0.89  0.47  0.58  1.0
  Re  Re7  1  0.06  0.82  0.49  1.0
  Br  Br0  1  0.6  0.47  0.08  1.0
  Br  Br1  1  0.72  0.82  0.17  1.0
  Br  Br2  1  0.91  0.47  0.65  1.0
  Br  Br3  1  0.03  0.82  0.74  1.0

data_ReBr
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.3
_cell_length_b   7.82
_cell_length_c   8.63
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   ReBr
_chemical_formula_sum   'Re4 Br4'
_cell_volume   222.65
_cell_formula_units_Z   4
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  0.32  0.16  0.58  1.0
  Re  Re1  2  0.32  0.92  0.26  1.0
  Br  Br2  2  0.32  0.24  0.6  1.0
  Br  Br3  2  0.32  0.67  0.28  1.0

Re Re Re Re Br Br Br Br