data_CoNi2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.41
_cell_length_b   4.41
_cell_length_c   4.41
_cell_angle_alpha   132.53
_cell_angle_beta   132.53
_cell_angle_gamma   69.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoNi2Ru
_chemical_formula_sum   'Co1 Ni2 Ru1'
_cell_volume   45.76
_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
  Ni  Ni1  1  0.0  0.78  0.81  1.0
  Ni  Ni2  1  0.0  0.0  0.63  1.0
  Ru  Ru3  1  0.78  0.0  0.81  1.0

data_CoNi2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.55
_cell_length_b   3.55
_cell_length_c   4.41
_cell_angle_alpha   113.74
_cell_angle_beta   113.74
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoNi2Ru
_chemical_formula_sum   'Co1 Ni2 Ru1'
_cell_volume   45.76
_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
  Ni  Ni1  1  0.04  0.81  0.04  1.0
  Ni  Ni2  1  0.63  0.63  0.63  1.0
  Ru  Ru3  1  0.81  0.04  0.04  1.0

Co Ni Ni Ru
Co Ni Ni Ru 0 3 - o - 0 1 o - - 0 2 o o - 1 2 o + o 2 3 - o o 
RuCoNi2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one RuCoNi2 cluster. Ru(1) is bonded in a single-bond geometry to one Co(1) and one Ni(2) atom. The Ru(1)-Co(1) bond length is 0.74 Å. The Ru(1)-Ni(2) bond length is 1.66 Å. Co(1) is bonded in a distorted water-like geometry to one Ru(1) and one Ni(1) atom. The Co(1)-Ni(1) bond length is 0.74 Å. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a single-bond geometry to one Co(1) atom. In the second Ni site, Ni(2) is bonded in a 1-coordinate geometry to one Ru(1) atom.