data_Li2YNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.25
_cell_length_b   3.25
_cell_length_c   7.46
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   92.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2YNi
_chemical_formula_sum   'Li2 Y1 Ni1'
_cell_volume   78.62
_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
  Li  Li0  1  0.0  0.0  0.21  1.0
  Li  Li1  1  0.25  0.0  0.27  1.0
  Y  Y3  1  0.25  0.0  0.33  1.0
  Ni  Ni2  1  0.0  0.0  0.85  1.0

data_Li2YNi
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.25
_cell_length_b   3.25
_cell_length_c   7.46
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Li2YNi
_chemical_formula_sum   'Li2 Y1 Ni1'
_cell_volume   78.68
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  Li  Li0  1  0.0  0.0  0.21  1.0
  Li  Li1  1  0.25  0.0  0.27  1.0
  Y  Y2  1  0.25  0.0  0.33  1.0
  Ni  Ni3  1  0.0  0.0  0.85  1.0

Li Li Y Ni
Li2YNi is alpha Niobium phosphide-derived structured and crystallizes in the monoclinic Pm space group. The structure is zero-dimensional and consists of one Li2YNi cluster. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted bent 120 degrees geometry to one Li(2) and one Ni(1) atom. The Li(1)-Li(2) bond length is 0.92 Å. The Li(1)-Ni(1) bond length is 2.70 Å. In the second Li site, Li(2) is bonded in a single-bond geometry to one Li(1) and one Y(1) atom. The Li(2)-Y(1) bond length is 0.43 Å. Y(1) is bonded in a single-bond geometry to one Li(2) atom. Ni(1) is bonded in a single-bond geometry to one Li(1) atom.