data_TiV2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.54
_cell_length_b   3.54
_cell_length_c   4.56
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiV2Ru
_chemical_formula_sum   'Ti1 V2 Ru1'
_cell_volume   57.33
_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
  Ti  Ti1  1  0.0  0.0  0.0  1.0
  V  V2  1  0.0  0.77  0.28  1.0
  V  V3  1  0.77  0.0  0.28  1.0
  Ru  Ru0  1  0.77  0.77  0.0  1.0

data_TiV2Ru
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.01
_cell_length_b   5.01
_cell_length_c   4.56
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TiV2Ru
_chemical_formula_sum   'Ti2 V4 Ru2'
_cell_volume   114.66
_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
  Ti  Ti0  2  0.0  0.0  0.0  1.0
  V  V1  4  0.39  0.39  0.28  1.0
  Ru  Ru2  2  0.27  0.5  -0.0  1.0

Ti V V Ru
TiV2Ru is alpha Po structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two TiV2Ru clusters. Ti(1) is bonded in a distorted single-bond geometry to two equivalent V(1) and one Ru(1) atom. Both Ti(1)-V(1) bond lengths are 1.51 Å. The Ti(1)-Ru(1) bond length is 1.14 Å. V(1) is bonded in a 3-coordinate geometry to one Ti(1), one V(1), and one Ru(1) atom. The V(1)-V(1) bond length is 1.14 Å. The V(1)-Ru(1) bond length is 1.51 Å. Ru(1) is bonded in a 3-coordinate geometry to one Ti(1) and two equivalent V(1) atoms.