data_Ti2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.37
_cell_length_b   6.37
_cell_length_c   4.23
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2Ru
_chemical_formula_sum   'Ti6 Ru3'
_cell_volume   148.7
_cell_formula_units_Z   3
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  Ti3  1  0.19  0.4  0.12  1.0
  Ti  Ti4  1  0.17  0.17  0.0  1.0
  Ti  Ti5  1  0.61  0.0  0.12  1.0
  Ti  Ti6  1  0.38  0.12  0.12  1.0
  Ti  Ti7  1  0.67  0.0  0.0  1.0
  Ti  Ti8  1  0.35  0.34  0.0  1.0
  Ru  Ru0  1  0.0  0.0  0.0  1.0
  Ru  Ru1  1  0.0  0.68  0.12  1.0
  Ru  Ru2  1  0.18  0.84  0.12  1.0

data_Ti2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.23
_cell_length_b   6.37
_cell_length_c   6.37
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2Ru
_chemical_formula_sum   'Ti6 Ru3'
_cell_volume   148.7
_cell_formula_units_Z   3
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  Ti0  1  -0.0  0.17  0.17  1.0
  Ti  Ti1  1  0.0  0.35  0.34  1.0
  Ti  Ti2  1  0.0  0.67  0.0  1.0
  Ti  Ti3  1  0.12  0.19  0.4  1.0
  Ti  Ti4  1  0.12  0.38  0.12  1.0
  Ti  Ti5  1  0.12  0.61  0.0  1.0
  Ru  Ru6  1  0.0  0.0  0.0  1.0
  Ru  Ru7  1  0.12  0.0  0.68  1.0
  Ru  Ru8  1  0.12  0.18  0.84  1.0

Ti Ti Ti Ti Ti Ti Ru Ru Ru
Ti Ti Ti Ti Ti Ti Ru Ru Ru 0 5 o o o 0 1 o o o 1 6 o o o 1 5 o o o 1 3 o o o 2 4 o o o 3 8 o - o 3 5 o o o 7 8 o o o 
Ti2Ru is Indium-like structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Ti2Ru cluster. There are six inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 3-coordinate geometry to one Ti(2), one Ti(6), and one Ru(2) atom. The Ti(1)-Ti(2) bond length is 1.44 Å. The Ti(1)-Ti(6) bond length is 1.33 Å. The Ti(1)-Ru(2) bond length is 2.62 Å. In the second Ti site, Ti(2) is bonded in a distorted single-bond geometry to one Ti(1), one Ti(6), and one Ru(1) atom. The Ti(2)-Ti(6) bond length is 1.12 Å. The Ti(2)-Ru(1) bond length is 1.09 Å. In the third Ti site, Ti(3) is bonded in a distorted single-bond geometry to one Ti(5) atom. The Ti(3)-Ti(5) bond length is 0.59 Å. In the fourth Ti site, Ti(4) is bonded in a single-bond geometry to one Ru(3) atom. The Ti(4)-Ru(3) bond length is 1.57 Å. In the fifth Ti site, Ti(5) is bonded in a bent 120 degrees geometry to one Ti(3) and one Ru(1) atom. The Ti(5)-Ru(1) bond length is 2.13 Å. In the sixth Ti site, Ti(6) is bonded in a 1-coordinate geometry to one Ti(1) and one Ti(2) atom. There are three inequivalent Ru sites. In the first Ru site, Ru(1) is bonded in a distorted single-bond geometry to one Ti(2) and one Ti(5) atom. In the second Ru site, Ru(2) is bonded in a 2-coordinate geometry to one Ti(1) and one Ru(3) atom. The Ru(2)-Ru(3) bond length is 1.11 Å. In the third Ru site, Ru(3) is bonded in a 2-coordinate geometry to one Ti(4) and one Ru(2) atom.