data_Re2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.89
_cell_length_b   7.31
_cell_length_c   4.21
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Re2Cl
_chemical_formula_sum   'Re4 Cl2'
_cell_volume   88.99
_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  0.18  0.44  0.0  1.0
  Re  Re3  1  0.71  0.87  0.0  1.0
  Re  Re4  1  0.73  0.21  0.11  1.0
  Re  Re5  1  0.16  0.09  0.11  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0
  Cl  Cl1  1  0.45  0.65  0.11  1.0

data_Re2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.89
_cell_length_b   4.21
_cell_length_c   7.31
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Re2Cl
_chemical_formula_sum   'Re4 Cl2'
_cell_volume   88.99
_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  0.27  0.89  0.79  1.0
  Re  Re1  1  0.29  0.0  0.13  1.0
  Re  Re2  1  0.82  0.0  0.56  1.0
  Re  Re3  1  0.84  0.89  0.91  1.0
  Cl  Cl4  1  0.0  0.0  0.0  1.0
  Cl  Cl5  1  0.55  0.89  0.35  1.0

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