data_YTi2Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.91
_cell_length_b   8.91
_cell_length_c   8.91
_cell_angle_alpha   20.67
_cell_angle_beta   20.67
_cell_angle_gamma   20.67
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTi2Ni
_chemical_formula_sum   'Y1 Ti2 Ni1'
_cell_volume   77.13
_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  0.08  1.0
  Ti  Ti1  1  0.0  0.0  0.09  1.0
  Ti  Ti2  1  0.0  0.0  0.06  1.0
  Ni  Ni0  1  0.0  0.0  0.0  1.0

data_YTi2Ni
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.54
_cell_length_b   3.2
_cell_length_c   8.91
_cell_angle_alpha   90.0
_cell_angle_beta   101.95
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   YTi2Ni
_chemical_formula_sum   'Y2 Ti4 Ni2'
_cell_volume   154.27
_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  0.92  1.0
  Ti  Ti1  2  -0.0  0.0  0.91  1.0
  Ti  Ti2  2  -0.0  0.0  0.94  1.0
  Ni  Ni3  2  0.0  0.0  0.0  1.0

Y Ti Ti Ni
Y Ti Ti Ni 0 2 o o o 0 1 o o o 2 3 o o o 
YTi2Ni is Cyanogen Chloride-like structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two YTi2Ni clusters. Y(1) is bonded in a linear geometry to one Ti(1) and one Ti(2) atom. The Y(1)-Ti(1) bond length is 0.12 Å. The Y(1)-Ti(2) bond length is 0.12 Å. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a single-bond geometry to one Y(1) atom. In the second Ti site, Ti(2) is bonded in a linear geometry to one Y(1) and one Ni(1) atom. The Ti(2)-Ni(1) bond length is 0.55 Å. Ni(1) is bonded in a single-bond geometry to one Ti(2) atom.