data_ReBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.81
_cell_length_b   5.81
_cell_length_c   3.97
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReBr2
_chemical_formula_sum   'Re2 Br4'
_cell_volume   134.14
_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  Re4  1  0.0  0.0  0.0  1.0
  Re  Re5  1  0.91  0.91  0.99  1.0
  Br  Br0  1  0.78  0.78  0.0  1.0
  Br  Br1  1  0.03  0.03  0.0  1.0
  Br  Br2  1  0.68  0.13  0.99  1.0
  Br  Br3  1  0.13  0.68  0.99  1.0

data_ReBr2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   8.22
_cell_length_b   8.22
_cell_length_c   3.97
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ReBr2
_chemical_formula_sum   'Re4 Br8'
_cell_volume   268.28
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.0  0.0  0.0  1.0
  Re  Re1  2  0.41  0.5  0.99  1.0
  Br  Br2  4  0.41  0.28  0.99  1.0
  Br  Br3  2  0.03  0.0  0.0  1.0
  Br  Br4  2  0.28  0.5  0.0  1.0

Re Re Br Br Br Br
Re Re Br Br Br Br 0 3 o o o 0 1 - - - 0 4 - o - 0 5 o - - 1 2 o o + 1 4 o + o 1 5 + o o 2 4 o + - 2 5 + o - 3 4 - o - 3 5 o - - 