data_ReRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.06
_cell_length_b   5.06
_cell_length_c   8.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReRu2
_chemical_formula_sum   'Re4 Ru8'
_cell_volume   177.92
_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  0.0  0.92  0.69  1.0
  Re  Re1  1  0.0  0.92  0.33  1.0
  Re  Re2  1  0.53  0.46  0.71  1.0
  Re  Re3  1  0.53  0.46  0.34  1.0
  Ru  Ru4  1  0.0  0.0  0.0  1.0
  Ru  Ru5  1  0.0  0.0  0.02  1.0
  Ru  Ru6  1  0.0  0.53  0.02  1.0
  Ru  Ru7  1  0.79  0.62  0.02  1.0
  Ru  Ru8  1  0.32  0.76  0.01  1.0
  Ru  Ru9  1  0.21  0.62  0.02  1.0
  Ru  Ru10  1  0.74  0.76  0.01  1.0
  Ru  Ru11  1  0.53  0.85  0.01  1.0

data_ReRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.06
_cell_length_b   5.06
_cell_length_c   8.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReRu2
_chemical_formula_sum   'Re4 Ru8'
_cell_volume   177.92
_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  0.0  0.92  0.33  1.0
  Re  Re1  1  0.0  0.92  0.69  1.0
  Re  Re2  1  0.53  0.46  0.34  1.0
  Re  Re3  1  0.53  0.46  0.71  1.0
  Ru  Ru4  1  0.0  0.0  0.0  1.0
  Ru  Ru5  1  0.0  0.0  0.02  1.0
  Ru  Ru6  1  0.0  0.53  0.02  1.0
  Ru  Ru7  1  0.21  0.62  0.02  1.0
  Ru  Ru8  1  0.32  0.76  0.01  1.0
  Ru  Ru9  1  0.53  0.85  0.01  1.0
  Ru  Ru10  1  0.74  0.76  0.01  1.0
  Ru  Ru11  1  0.79  0.62  0.02  1.0

Re Re Re Re Ru Ru Ru Ru Ru Ru Ru Ru
ReRu2 crystallizes in the triclinic P1 space group. There are four inequivalent Re sites. In the first Re site, Re(1) is bonded in a 1-coordinate geometry to two equivalent Re(3) and one Ru(1) atom. There is one shorter (2.36 Å) and one longer (2.71 Å) Re(1)-Re(3) bond length. The Re(1)-Ru(1) bond length is 2.52 Å. In the second Re site, Re(2) is bonded in a 1-coordinate geometry to two equivalent Re(4) and one Ru(2) atom. There is one shorter (2.36 Å) and one longer (2.71 Å) Re(2)-Re(4) bond length. The Re(2)-Ru(2) bond length is 2.52 Å. In the third Re site, Re(3) is bonded in a 5-coordinate geometry to one Re(4), two equivalent Re(1), one Ru(4), and one Ru(7) atom. The Re(3)-Re(4) bond length is 2.93 Å. The Re(3)-Ru(4) bond length is 2.80 Å. The Re(3)-Ru(7) bond length is 2.78 Å. In the fourth Re site, Re(4) is bonded in a 5-coordinate geometry to one Re(3), two equivalent Re(2), one Ru(4), and one Ru(6) atom. The Re(4)-Ru(4) bond length is 2.80 Å. The Re(4)-Ru(6) bond length is 3.33 Å. There are eight inequivalent Ru sites. In the first Ru site, Ru(1) is bonded in a single-bond geometry to one Re(1), one Ru(2), and one Ru(7) atom. The Ru(1)-Ru(2) bond length is 0.13 Å. The Ru(1)-Ru(7) bond length is 1.27 Å. In the second Ru site, Ru(2) is bonded in a single-bond geometry to one Re(2), one Ru(1), and one Ru(7) atom. The Ru(2)-Ru(7) bond length is 1.27 Å. In the third Ru site, Ru(3) is bonded in a distorted bent 150 degrees geometry to one Ru(4) and one Ru(6) atom. The Ru(3)-Ru(4) bond length is 1.34 Å. The Ru(3)-Ru(6) bond length is 0.91 Å. In the fourth Ru site, Ru(4) is bonded in a distorted bent 150 degrees geometry to one Re(3), one Re(4), one Ru(3), and one Ru(7) atom. The Ru(4)-Ru(7) bond length is 0.92 Å. In the fifth Ru site, Ru(5) is bonded in a distorted bent 120 degrees geometry to one Ru(6) and one Ru(8) atom. The Ru(5)-Ru(6) bond length is 0.68 Å. The Ru(5)-Ru(8) bond length is 0.91 Å. In the sixth Ru site, Ru(6) is bonded in a distorted bent 120 degrees geometry to one Re(4), one Ru(3), and one Ru(5) atom. In the seventh Ru site, Ru(7) is bonded in a 4-coordinate geometry to one Re(3), one Ru(1), one Ru(2), one Ru(4), and one Ru(8) atom. The Ru(7)-Ru(8) bond length is 1.34 Å. In the eighth Ru site, Ru(8) is bonded in a distorted bent 150 degrees geometry to one Ru(5) and one Ru(7) atom.