data_ReCl4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.39
_cell_length_b   6.34
_cell_length_c   12.25
_cell_angle_alpha   90.0
_cell_angle_beta   93.16
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReCl4
_chemical_formula_sum   'Re4 Cl16'
_cell_volume   495.24
_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  Re16  1  0.08  0.69  0.3  1.0
  Re  Re17  1  0.96  0.69  0.82  1.0
  Re  Re18  1  0.75  0.65  0.41  1.0
  Re  Re19  1  0.63  0.65  0.94  1.0
  Cl  Cl0  1  0.77  0.71  0.27  1.0
  Cl  Cl1  1  0.76  0.58  0.57  1.0
  Cl  Cl2  1  0.01  0.6  0.65  1.0
  Cl  Cl3  1  0.02  0.6  0.06  1.0
  Cl  Cl4  1  0.83  0.02  0.06  1.0
  Cl  Cl5  1  0.03  0.6  0.46  1.0
  Cl  Cl6  1  0.28  0.58  0.55  1.0
  Cl  Cl7  1  0.28  0.71  0.85  1.0
  Cl  Cl8  1  0.43  0.62  0.38  1.0
  Cl  Cl9  1  0.42  0.76  0.68  1.0
  Cl  Cl10  1  0.67  0.74  0.77  1.0
  Cl  Cl11  1  0.49  0.32  0.18  1.0
  Cl  Cl12  1  0.69  0.74  0.18  1.0
  Cl  Cl13  1  0.7  0.74  0.58  1.0
  Cl  Cl14  1  0.95  0.76  0.67  1.0
  Cl  Cl15  1  0.94  0.62  0.97  1.0

data_ReCl4
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.34
_cell_length_b   6.39
_cell_length_c   12.25
_cell_angle_alpha   93.16
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReCl4
_chemical_formula_sum   'Re4 Cl16'
_cell_volume   495.24
_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  Re0  1  0.31  0.04  0.18  1.0
  Re  Re1  1  0.31  0.92  0.7  1.0
  Re  Re2  1  0.35  0.25  0.59  1.0
  Re  Re3  1  0.35  0.37  0.06  1.0
  Cl  Cl4  1  0.24  0.05  0.33  1.0
  Cl  Cl5  1  0.24  0.58  0.32  1.0
  Cl  Cl6  1  0.26  0.3  0.42  1.0
  Cl  Cl7  1  0.26  0.33  0.23  1.0
  Cl  Cl8  1  0.26  0.31  0.82  1.0
  Cl  Cl9  1  0.29  0.23  0.73  1.0
  Cl  Cl10  1  0.29  0.72  0.15  1.0
  Cl  Cl11  1  0.38  0.06  0.03  1.0
  Cl  Cl12  1  0.38  0.57  0.62  1.0
  Cl  Cl13  1  0.4  0.98  0.94  1.0
  Cl  Cl14  1  0.4  0.97  0.54  1.0
  Cl  Cl15  1  0.4  0.99  0.35  1.0
  Cl  Cl16  1  0.42  0.24  0.43  1.0
  Cl  Cl17  1  0.42  0.72  0.45  1.0
  Cl  Cl18  1  0.68  0.51  0.82  1.0
  Cl  Cl19  1  0.98  0.17  0.94  1.0

Re Re Re Re Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl
Re Re Re Re Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl 0 9 o o o 0 4 - o o 0 12 o o o 1 19 o o o 1 18 o o o 1 14 o o o 1 6 + o o 1 11 + o o 2 12 o o o 2 17 o o o 2 9 + o o 2 5 o o o 2 4 o o o 3 11 o o o 3 19 o o o 3 14 o o o 3 8 o + + 3 15 o o + 4 16 o o o 4 8 o + o 4 15 o o o 5 17 o o o 5 9 + o o 6 18 - o o 6 9 o o o 6 10 o o o 7 19 - o - 7 8 - + o 7 15 o o o 8 16 o - o 8 15 o o o 8 19 o - - 9 10 o o o 10 12 o o o 10 13 o o o 11 13 o o o 12 15 o o o 13 17 o o o 13 14 o o o 14 18 o o o 14 17 o o o 15 16 o o o 