data_ReBr5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.11
_cell_length_b   7.11
_cell_length_c   10.87
_cell_angle_alpha   116.28
_cell_angle_beta   116.28
_cell_angle_gamma   25.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReBr5
_chemical_formula_sum   'Re1 Br5'
_cell_volume   208.73
_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  Re5  1  0.55  0.0  0.22  1.0
  Br  Br0  1  0.4  0.0  0.44  1.0
  Br  Br1  1  0.1  0.0  0.83  1.0
  Br  Br2  1  0.09  0.0  0.91  1.0
  Br  Br3  1  0.35  0.0  0.95  1.0
  Br  Br4  1  0.18  0.0  0.31  1.0

data_ReBr5
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.11
_cell_length_b   7.11
_cell_length_c   10.01
_cell_angle_alpha   76.75
_cell_angle_beta   81.06
_cell_angle_gamma   77.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReBr5
_chemical_formula_sum   'Re1 Br5'
_cell_volume   208.73
_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  1  0.0  0.33  0.22  1.0
  Br  Br1  1  0.0  0.18  0.91  1.0
  Br  Br2  1  0.0  0.27  0.83  1.0
  Br  Br3  1  0.0  0.39  0.95  1.0
  Br  Br4  1  0.0  0.88  0.31  1.0
  Br  Br5  1  0.0  0.96  0.44  1.0

Re Br Br Br Br Br