data_SiNi2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.91
_cell_length_b   4.91
_cell_length_c   4.91
_cell_angle_alpha   147.56
_cell_angle_beta   128.68
_cell_angle_gamma   62.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiNi2Pd
_chemical_formula_sum   'Si1 Ni2 Pd1'
_cell_volume   49.09
_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
  Si  Si3  1  0.0  0.0  0.0  1.0
  Ni  Ni0  1  0.0  0.13  0.37  1.0
  Ni  Ni1  1  0.37  0.0  0.84  1.0
  Pd  Pd2  1  0.0  0.0  0.21  1.0

data_SiNi2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.74
_cell_length_b   4.25
_cell_length_c   4.91
_cell_angle_alpha   115.66
_cell_angle_beta   106.22
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiNi2Pd
_chemical_formula_sum   'Si1 Ni2 Pd1'
_cell_volume   49.09
_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
  Si  Si0  1  0.0  0.0  0.0  1.0
  Ni  Ni1  1  0.0  0.84  0.46  1.0
  Ni  Ni2  1  0.87  0.25  0.25  1.0
  Pd  Pd3  1  0.0  0.21  0.21  1.0

Si Ni Ni Pd
PdNi2Si crystallizes in the triclinic P1 space group. Pd(1) is bonded in a distorted bent 120 degrees geometry to one Ni(1), two equivalent Ni(2), and one Si(1) atom. The Pd(1)-Ni(1) bond length is 0.44 Å. Both Pd(1)-Ni(2) bond lengths are 2.41 Å. The Pd(1)-Si(1) bond length is 1.02 Å. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a single-bond geometry to one Pd(1) and two equivalent Ni(2) atoms. There is one shorter (2.24 Å) and one longer (2.39 Å) Ni(1)-Ni(2) bond length. In the second Ni site, Ni(2) is bonded in a 9-coordinate geometry to two equivalent Pd(1), two equivalent Ni(1), two equivalent Ni(2), and three equivalent Si(1) atoms. Both Ni(2)-Ni(2) bond lengths are 2.74 Å. There are a spread of Ni(2)-Si(1) bond distances ranging from 2.41-3.05 Å. Si(1) is bonded in a single-bond geometry to one Pd(1) and three equivalent Ni(2) atoms.