data_Ti2RuW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.14
_cell_length_b   5.14
_cell_length_c   5.14
_cell_angle_alpha   145.11
_cell_angle_beta   126.67
_cell_angle_gamma   65.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2RuW
_chemical_formula_sum   'Ti2 Ru1 W1'
_cell_volume   61.65
_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  0.31  0.23  1.0
  Ti  Ti2  1  0.54  0.0  0.1  1.0
  Ru  Ru0  1  0.0  0.0  0.0  1.0
  W  W3  1  0.0  0.0  0.33  1.0

data_Ti2RuW
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.08
_cell_length_b   4.62
_cell_length_c   5.14
_cell_angle_alpha   116.67
_cell_angle_beta   107.44
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2RuW
_chemical_formula_sum   'Ti2 Ru1 W1'
_cell_volume   61.65
_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  Ti0  1  0.0  0.1  0.56  1.0
  Ti  Ti1  1  0.69  0.92  0.92  1.0
  Ru  Ru2  1  0.0  0.0  0.0  1.0
  W  W3  1  0.0  0.33  0.33  1.0

Ti Ti Ru W
Ti2WRu crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Ti2WRu cluster. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a single-bond geometry to one Ru(1) atom. The Ti(1)-Ru(1) bond length is 0.92 Å. In the second Ti site, Ti(2) is bonded in a distorted single-bond geometry to one W(1) atom. The Ti(2)-W(1) bond length is 1.90 Å. W(1) is bonded in a 2-coordinate geometry to one Ti(2) and one Ru(1) atom. The W(1)-Ru(1) bond length is 1.70 Å. Ru(1) is bonded in a distorted single-bond geometry to one Ti(1) and one W(1) atom.