data_Re(PCl6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.11
_cell_length_b   10.91
_cell_length_c   9.43
_cell_angle_alpha   90.0
_cell_angle_beta   93.51
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Re(PCl6)2
_chemical_formula_sum   'Re2 P4 Cl24'
_cell_volume   936.18
_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  Re28  1  0.36  0.18  0.44  1.0
  Re  Re29  1  0.18  0.73  0.98  1.0
  P  P24  1  0.74  0.18  0.01  1.0
  P  P25  1  0.8  0.73  0.4  1.0
  P  P26  1  0.01  0.18  0.74  1.0
  P  P27  1  0.52  0.73  0.68  1.0
  Cl  Cl0  1  0.75  0.78  0.7  1.0
  Cl  Cl1  1  0.78  0.33  0.72  1.0
  Cl  Cl2  1  0.78  0.13  0.72  1.0
  Cl  Cl3  1  0.75  0.59  0.7  1.0
  Cl  Cl4  1  0.7  0.18  0.66  1.0
  Cl  Cl5  1  0.83  0.73  0.75  1.0
  Cl  Cl6  1  0.31  0.79  0.74  1.0
  Cl  Cl7  1  0.22  0.33  0.67  1.0
  Cl  Cl8  1  0.22  0.13  0.67  1.0
  Cl  Cl9  1  0.31  0.58  0.74  1.0
  Cl  Cl10  1  0.54  0.18  0.78  1.0
  Cl  Cl11  1  0.99  0.73  0.64  1.0
  Cl  Cl12  1  0.72  0.78  0.8  1.0
  Cl  Cl13  1  0.82  0.32  0.61  1.0
  Cl  Cl14  1  0.82  0.13  0.61  1.0
  Cl  Cl15  1  0.72  0.59  0.8  1.0
  Cl  Cl16  1  0.34  0.18  0.79  1.0
  Cl  Cl17  1  0.19  0.73  0.63  1.0
  Cl  Cl18  1  0.68  0.82  0.6  1.0
  Cl  Cl19  1  0.86  0.37  0.82  1.0
  Cl  Cl20  1  0.86  0.09  0.82  1.0
  Cl  Cl21  1  0.68  0.55  0.6  1.0
  Cl  Cl22  1  0.12  0.18  0.99  1.0
  Cl  Cl23  1  0.42  0.73  0.42  1.0

data_Re(PCl6)2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   9.11
_cell_length_b   9.43
_cell_length_c   10.91
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   93.51
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Re(PCl6)2
_chemical_formula_sum   'Re2 P4 Cl24'
_cell_volume   936.18
_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  0.41  0.27  0.77  1.0
  P  P1  2  0.03  0.7  0.77  1.0
  P  P2  2  0.24  0.03  0.23  1.0
  Cl  Cl3  2  0.01  0.01  0.17  1.0
  Cl  Cl4  2  0.01  0.01  0.37  1.0
  Cl  Cl5  2  0.05  0.91  0.18  1.0
  Cl  Cl6  2  0.05  0.91  0.37  1.0
  Cl  Cl7  2  0.07  0.05  0.77  1.0
  Cl  Cl8  2  0.09  0.11  0.41  1.0
  Cl  Cl9  2  0.09  0.11  0.13  1.0
  Cl  Cl10  2  0.23  0.93  0.77  1.0
  Cl  Cl11  2  0.35  0.28  0.23  1.0
  Cl  Cl12  2  0.43  0.92  0.77  1.0
  Cl  Cl13  2  0.46  0.96  0.17  1.0
  Cl  Cl14  2  0.46  0.96  0.37  1.0

Re Re P P P P Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl
Re Re P P P P Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl 0 14 o o o 0 22 o o o 0 13 o o o 1 15 o o o 1 23 o o o 1 12 o o o 2 16 o o - 2 26 o o - 2 8 o o - 2 25 o o - 3 27 o o o 3 24 o o o 3 6 o o o 3 17 o o o 4 20 - o o 4 8 - o o 4 26 - o o 4 14 o o o 4 28 o o o 4 13 o o o 5 29 o o o 5 12 o o o 5 24 o o o 5 18 o o o 5 6 o o o 5 15 o o o 6 18 o o o 6 11 o o o 6 24 o o o 7 19 o o o 7 25 o o o 8 10 o o o 8 20 o o o 8 26 o o o 9 21 o o o 9 27 o o o 10 16 o o o 11 17 o o o 12 23 o o o 12 15 o o o 13 22 o o o 13 14 o o o 14 22 o o o 15 23 o o o 16 22 o o o 17 23 + o o 22 28 o o o 23 29 o o o 24 29 o o o 26 28 + o o 