data_YTi2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.15
_cell_length_b   3.15
_cell_length_c   7.62
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTi2Ru
_chemical_formula_sum   'Y1 Ti2 Ru1'
_cell_volume   75.6
_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
  Y  Y3  1  0.0  0.0  0.0  1.0
  Ti  Ti1  1  0.57  0.57  0.26  1.0
  Ti  Ti2  1  0.57  0.57  0.36  1.0
  Ru  Ru0  1  0.0  0.0  0.81  1.0

data_YTi2Ru
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.45
_cell_length_b   4.45
_cell_length_c   7.62
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   YTi2Ru
_chemical_formula_sum   'Y2 Ti4 Ru2'
_cell_volume   151.2
_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
  Y  Y0  2  0.0  0.0  0.0  1.0
  Ti  Ti1  2  0.07  0.5  0.26  1.0
  Ti  Ti2  2  0.07  0.5  0.36  1.0
  Ru  Ru3  2  0.0  0.0  0.81  1.0

Y Ti Ti Ru
(Ti)2YRu crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two Ti clusters and two YRu clusters. In each Ti cluster, there are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a distorted single-bond geometry to one Ti(2) atom. The Ti(1)-Ti(2) bond length is 0.70 Å. In the second Ti site, Ti(2) is bonded in a single-bond geometry to one Ti(1) atom. In each YRu cluster, Y(1) is bonded in a single-bond geometry to one Ru(1) atom. The Y(1)-Ru(1) bond length is 1.45 Å. Ru(1) is bonded in a single-bond geometry to one Y(1) atom.