data_ReRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.0
_cell_length_b   5.0
_cell_length_c   5.0
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReRu2
_chemical_formula_sum   'Re2 Ru4'
_cell_volume   88.59
_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  0.77  0.77  0.77  1.0
  Re  Re1  1  0.0  0.0  0.0  1.0
  Ru  Ru2  1  0.42  0.65  0.65  1.0
  Ru  Ru3  1  0.65  0.42  0.65  1.0
  Ru  Ru4  1  0.65  0.65  0.42  1.0
  Ru  Ru5  1  0.42  0.42  0.42  1.0

data_ReRu2
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.0
_cell_length_b   5.0
_cell_length_c   12.26
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   ReRu2
_chemical_formula_sum   'Re6 Ru12'
_cell_volume   265.78
_cell_formula_units_Z   6
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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  3  0.0  0.0  0.0  1.0
  Re  Re1  3  0.0  0.0  0.23  1.0
  Ru  Ru2  9  0.15  0.08  0.42  1.0
  Ru  Ru3  3  0.0  0.0  0.58  1.0

Re Re Ru Ru Ru Ru
ReRu2 crystallizes in the trigonal R3m space group. There are two inequivalent Re sites. In the first Re site, Re(1) is bonded in a 9-coordinate geometry to three equivalent Ru(2) and six equivalent Ru(1) atoms. All Re(1)-Ru(2) bond lengths are 2.89 Å. There are three shorter (2.45 Å) and three longer (2.81 Å) Re(1)-Ru(1) bond lengths. In the second Re site, Re(2) is bonded in a 3-coordinate geometry to three equivalent Ru(1) and three equivalent Ru(2) atoms. All Re(2)-Ru(1) bond lengths are 2.48 Å. All Re(2)-Ru(2) bond lengths are 3.09 Å. There are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded in a 6-coordinate geometry to one Re(2), two equivalent Re(1), one Ru(2), and two equivalent Ru(1) atoms. The Ru(1)-Ru(2) bond length is 2.00 Å. Both Ru(1)-Ru(1) bond lengths are 1.16 Å. In the second Ru site, Ru(2) is bonded in a 9-coordinate geometry to three equivalent Re(1), three equivalent Re(2), and three equivalent Ru(1) atoms.