data_YScNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.48
_cell_length_b   5.48
_cell_length_c   5.48
_cell_angle_alpha   138.86
_cell_angle_beta   138.86
_cell_angle_gamma   59.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YScNi2
_chemical_formula_sum   'Y1 Sc1 Ni2'
_cell_volume   70.62
_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
  Y  Y3  1  0.93  0.0  0.38  1.0
  Sc  Sc2  1  0.0  0.0  0.0  1.0
  Ni  Ni0  1  0.0  0.0  0.76  1.0
  Ni  Ni1  1  0.0  0.93  0.38  1.0

data_YScNi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.85
_cell_length_b   3.85
_cell_length_c   5.48
_cell_angle_alpha   110.57
_cell_angle_beta   110.57
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YScNi2
_chemical_formula_sum   'Y1 Sc1 Ni2'
_cell_volume   70.62
_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
  Y  Y0  1  0.38  0.45  0.45  1.0
  Sc  Sc1  1  0.0  0.0  0.0  1.0
  Ni  Ni2  1  0.45  0.38  0.45  1.0
  Ni  Ni3  1  0.76  0.76  0.76  1.0

Y Sc Ni Ni
Y Sc Ni Ni 0 3 + - o 1 2 o o - 
NiYScNi crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one NiY cluster and one ScNi cluster. In the NiY cluster, Y(1) is bonded in a single-bond geometry to one Ni(2) atom. The Y(1)-Ni(2) bond length is 0.40 Å. Ni(2) is bonded in a single-bond geometry to one Y(1) atom. In the ScNi cluster, Sc(1) is bonded in a single-bond geometry to one Ni(1) atom. The Sc(1)-Ni(1) bond length is 1.33 Å. Ni(1) is bonded in a distorted single-bond geometry to one Sc(1) atom.