data_Ba2YNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.2
_cell_length_b   5.75
_cell_length_c   5.85
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2YNi
_chemical_formula_sum   'Ba2 Y1 Ni1'
_cell_volume   141.19
_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
  Ba  Ba0  1  0.1  0.87  0.0  1.0
  Ba  Ba1  1  0.0  0.87  0.92  1.0
  Y  Y3  1  0.1  0.0  0.92  1.0
  Ni  Ni2  1  0.0  0.0  0.0  1.0

data_Ba2YNi
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.2
_cell_length_b   5.75
_cell_length_c   5.85
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2YNi
_chemical_formula_sum   'Ba2 Y1 Ni1'
_cell_volume   141.19
_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
  Ba  Ba0  1  0.0  0.87  0.92  1.0
  Ba  Ba1  1  0.1  0.87  0.0  1.0
  Y  Y2  1  0.1  0.0  0.92  1.0
  Ni  Ni3  1  0.0  0.0  0.0  1.0

Ba Ba Y Ni
Ba2YNi crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Ba2YNi cluster. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 3-coordinate geometry to one Ba(2), one Y(1), and one Ni(1) atom. The Ba(1)-Ba(2) bond length is 0.61 Å. The Ba(1)-Y(1) bond length is 0.85 Å. The Ba(1)-Ni(1) bond length is 0.84 Å. In the second Ba site, Ba(2) is bonded in a 3-coordinate geometry to one Ba(1), one Y(1), and one Ni(1) atom. The Ba(2)-Y(1) bond length is 0.84 Å. The Ba(2)-Ni(1) bond length is 0.85 Å. Y(1) is bonded in a 3-coordinate geometry to one Ba(1), one Ba(2), and one Ni(1) atom. The Y(1)-Ni(1) bond length is 0.61 Å. Ni(1) is bonded in a 3-coordinate geometry to one Ba(1), one Ba(2), and one Y(1) atom.