data_Co3Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.39
_cell_length_b   4.39
_cell_length_c   4.39
_cell_angle_alpha   132.45
_cell_angle_beta   132.45
_cell_angle_gamma   69.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co3Ru
_chemical_formula_sum   'Co3 Ru1'
_cell_volume   45.04
_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  0.0  1.0
  Co  Co1  1  0.77  0.0  0.8  1.0
  Co  Co2  1  0.0  0.77  0.8  1.0
  Ru  Ru3  1  0.0  0.0  0.6  1.0

data_Co3Ru
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.0
_cell_length_b   5.0
_cell_length_c   4.39
_cell_angle_alpha   90.0
_cell_angle_beta   124.76
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Co3Ru
_chemical_formula_sum   'Co6 Ru2'
_cell_volume   90.07
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  4  0.08  0.12  0.97  1.0
  Co  Co1  2  0.0  0.0  0.0  1.0
  Ru  Ru2  2  0.4  0.0  0.4  1.0

Co Co Co Ru
Co3Ru crystallizes in the monoclinic Cm space group. Ru(1) is bonded in a 6-coordinate geometry to two equivalent Co(1) and four equivalent Co(2) atoms. There is one shorter (1.74 Å) and one longer (2.64 Å) Ru(1)-Co(1) bond length. There are two shorter (1.73 Å) and two longer (2.85 Å) Ru(1)-Co(2) bond lengths. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a distorted water-like geometry to two equivalent Ru(1) and two equivalent Co(2) atoms. Both Co(1)-Co(2) bond lengths are 0.77 Å. In the second Co site, Co(2) is bonded in a distorted single-bond geometry to two equivalent Ru(1) and one Co(1) atom.