data_YTi2V
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.92
_cell_length_b   4.92
_cell_length_c   5.75
_cell_angle_alpha   94.51
_cell_angle_beta   94.51
_cell_angle_gamma   34.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTi2V
_chemical_formula_sum   'Y1 Ti2 V1'
_cell_volume   78.87
_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  0.96  0.0  0.25  1.0
  Ti  Ti0  1  0.07  0.0  0.36  1.0
  Ti  Ti1  1  0.94  0.0  0.46  1.0
  V  V2  1  0.4  0.0  0.53  1.0

data_YTi2V
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.93
_cell_length_b   4.92
_cell_length_c   5.75
_cell_angle_alpha   94.51
_cell_angle_beta   90.0
_cell_angle_gamma   107.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTi2V
_chemical_formula_sum   'Y1 Ti2 V1'
_cell_volume   78.87
_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  Y0  1  0.0  0.04  0.75  1.0
  Ti  Ti1  1  0.0  0.06  0.54  1.0
  Ti  Ti2  1  0.0  0.93  0.64  1.0
  V  V3  1  0.0  0.6  0.47  1.0

Y Ti Ti V
YTi2V crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one YTi2V cluster. Y(1) is bonded in a distorted single-bond geometry to one Ti(1) and one Ti(2) atom. The Y(1)-Ti(1) bond length is 0.76 Å. The Y(1)-Ti(2) bond length is 1.21 Å. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 3-coordinate geometry to one Y(1), one Ti(2), and one V(1) atom. The Ti(1)-Ti(2) bond length is 0.91 Å. The Ti(1)-V(1) bond length is 1.82 Å. In the second Ti site, Ti(2) is bonded in a 2-coordinate geometry to one Y(1) and one Ti(1) atom. V(1) is bonded in a 1-coordinate geometry to one Ti(1) atom.