data_CoReRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.19
_cell_length_b   5.19
_cell_length_c   5.19
_cell_angle_alpha   148.92
_cell_angle_beta   130.17
_cell_angle_gamma   59.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoReRu2
_chemical_formula_sum   'Co1 Re1 Ru2'
_cell_volume   54.55
_cell_formula_units_Z   1
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
  Co  Co0  1  0.0  0.0  0.46  1.0
  Re  Re1  1  0.39  0.0  0.46  1.0
  Ru  Ru2  1  0.0  0.0  0.05  1.0
  Ru  Ru3  1  0.0  0.18  0.02  1.0

data_CoReRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.78
_cell_length_b   4.37
_cell_length_c   5.19
_cell_angle_alpha   114.91
_cell_angle_beta   105.54
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoReRu2
_chemical_formula_sum   'Co1 Re1 Ru2'
_cell_volume   54.55
_cell_formula_units_Z   1
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
  Co  Co0  1  0.54  0.54  0.54  1.0
  Re  Re1  1  0.93  0.54  0.93  1.0
  Ru  Ru2  1  0.95  0.95  0.95  1.0
  Ru  Ru3  1  0.98  0.17  0.17  1.0

Co Re Ru Ru
Co Re Ru Ru 0 3 o o + 0 2 o o o 0 1 o o o 1 2 o o o 2 3 o o o 
ReRu2Co crystallizes in the triclinic P1 space group. Re(1) is bonded in a distorted single-bond geometry to one Ru(1), one Ru(2), and one Co(1) atom. The Re(1)-Ru(1) bond length is 1.75 Å. The Re(1)-Ru(2) bond length is 2.41 Å. The Re(1)-Co(1) bond length is 2.03 Å. There are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded in a 2-coordinate geometry to one Re(1), one Ru(2), and one Co(1) atom. The Ru(1)-Ru(2) bond length is 1.09 Å. The Ru(1)-Co(1) bond length is 2.15 Å. In the second Ru site, Ru(2) is bonded in a 4-coordinate geometry to one Re(1), one Ru(1), and two equivalent Co(1) atoms. There is one shorter (2.12 Å) and one longer (2.55 Å) Ru(2)-Co(1) bond length. Co(1) is bonded in a 4-coordinate geometry to one Re(1), one Ru(1), and two equivalent Ru(2) atoms.