data_ReRu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.47
_cell_length_b   13.18
_cell_length_c   4.72
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReRu3
_chemical_formula_sum   'Re6 Ru18'
_cell_volume   340.33
_cell_formula_units_Z   6
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  0.59  0.37  1.0
  Re  Re1  1  0.0  0.13  0.92  1.0
  Re  Re2  1  0.0  0.05  0.92  1.0
  Re  Re3  1  0.73  0.0  0.35  1.0
  Re  Re4  1  0.73  0.72  0.8  1.0
  Re  Re5  1  0.73  0.46  0.8  1.0
  Ru  Ru6  1  0.37  0.16  0.58  1.0
  Ru  Ru7  1  0.37  0.02  0.58  1.0
  Ru  Ru8  1  0.37  0.59  0.01  1.0
  Ru  Ru9  1  0.37  0.0  0.71  1.0
  Ru  Ru10  1  0.36  0.75  0.14  1.0
  Ru  Ru11  1  0.36  0.43  0.14  1.0
  Ru  Ru12  1  0.0  0.0  0.35  1.0
  Ru  Ru13  1  0.0  0.76  0.79  1.0
  Ru  Ru14  1  0.0  0.43  0.79  1.0
  Ru  Ru15  1  0.1  0.16  0.58  1.0
  Ru  Ru16  1  0.1  0.02  0.58  1.0
  Ru  Ru17  1  0.1  0.59  0.01  1.0
  Ru  Ru18  1  0.1  0.0  0.71  1.0
  Ru  Ru19  1  0.11  0.75  0.14  1.0
  Ru  Ru20  1  0.11  0.43  0.14  1.0
  Ru  Ru21  1  0.73  0.59  0.37  1.0
  Ru  Ru22  1  0.73  0.16  0.93  1.0
  Ru  Ru23  1  0.73  0.02  0.93  1.0

data_ReRu3
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.72
_cell_length_b   5.47
_cell_length_c   13.18
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReRu3
_chemical_formula_sum   'Re6 Ru18'
_cell_volume   340.33
_cell_formula_units_Z   6
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  0.35  0.73  0.0  1.0
  Re  Re1  1  0.37  0.0  0.59  1.0
  Re  Re2  1  0.8  0.73  0.46  1.0
  Re  Re3  1  0.8  0.73  0.72  1.0
  Re  Re4  1  0.92  0.0  0.05  1.0
  Re  Re5  1  0.92  0.0  0.13  1.0
  Ru  Ru6  1  0.01  0.1  0.59  1.0
  Ru  Ru7  1  0.01  0.37  0.59  1.0
  Ru  Ru8  1  0.14  0.11  0.43  1.0
  Ru  Ru9  1  0.14  0.11  0.75  1.0
  Ru  Ru10  1  0.14  0.36  0.43  1.0
  Ru  Ru11  1  0.14  0.36  0.75  1.0
  Ru  Ru12  1  0.35  0.0  0.0  1.0
  Ru  Ru13  1  0.37  0.73  0.59  1.0
  Ru  Ru14  1  0.58  0.1  0.02  1.0
  Ru  Ru15  1  0.58  0.1  0.16  1.0
  Ru  Ru16  1  0.58  0.37  0.02  1.0
  Ru  Ru17  1  0.58  0.37  0.16  1.0
  Ru  Ru18  1  0.71  0.1  0.0  1.0
  Ru  Ru19  1  0.71  0.37  0.0  1.0
  Ru  Ru20  1  0.79  0.0  0.76  1.0
  Ru  Ru21  1  0.79  0.0  0.43  1.0
  Ru  Ru22  1  0.93  0.73  0.02  1.0
  Ru  Ru23  1  0.93  0.73  0.16  1.0

Re Re Re Re Re Re Ru Ru Ru Ru Ru Ru Ru Ru Ru Ru Ru Ru Ru Ru Ru Ru Ru Ru
Re Re Re Re Re Re Ru Ru Ru Ru Ru Ru Ru Ru Ru Ru Ru Ru Ru Ru Ru Ru Ru Ru 0 21 - o o 1 2 o o o 1 15 o o o 1 22 - o o 2 18 o o o 2 23 - o o 3 12 + o o 4 13 + o o 5 14 + o o 6 15 o o o 6 7 o o o 7 9 o o o 8 17 o o o 10 19 o o o 11 20 o o o 12 16 o o o 13 19 o o + 14 20 o o + 15 16 o o o 16 18 o o o 