data_ScNi2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.19
_cell_length_b   3.19
_cell_length_c   5.63
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScNi2Pd
_chemical_formula_sum   'Sc1 Ni2 Pd1'
_cell_volume   57.32
_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
  Sc  Sc3  1  0.0  0.0  0.32  1.0
  Ni  Ni0  1  0.6  0.6  0.15  1.0
  Ni  Ni1  1  0.0  0.0  0.26  1.0
  Pd  Pd2  1  0.6  0.6  0.72  1.0

data_ScNi2Pd
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.51
_cell_length_b   4.51
_cell_length_c   5.63
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ScNi2Pd
_chemical_formula_sum   'Sc2 Ni4 Pd2'
_cell_volume   114.64
_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
  Sc  Sc0  2  0.0  0.0  0.32  1.0
  Ni  Ni1  2  0.0  0.0  0.26  1.0
  Ni  Ni2  2  0.1  0.5  0.15  1.0
  Pd  Pd3  2  0.1  0.5  0.72  1.0

Sc Ni Ni Pd
ScPdNi2 crystallizes in the monoclinic Cm space group. Sc(1) is bonded in a single-bond geometry to four equivalent Pd(1) and one Ni(2) atom. There are a spread of Sc(1)-Pd(1) bond distances ranging from 2.89-3.50 Å. The Sc(1)-Ni(2) bond length is 0.36 Å. Pd(1) is bonded in a 10-coordinate geometry to four equivalent Sc(1), four equivalent Pd(1), and two equivalent Ni(1) atoms. All Pd(1)-Pd(1) bond lengths are 3.19 Å. There is one shorter (2.45 Å) and one longer (3.18 Å) Pd(1)-Ni(1) bond length. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 2-coordinate geometry to two equivalent Pd(1) and one Ni(2) atom. The Ni(1)-Ni(2) bond length is 1.91 Å. In the second Ni site, Ni(2) is bonded in a single-bond geometry to one Sc(1) and one Ni(1) atom.