data_Ni2SnPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.72
_cell_length_b   6.72
_cell_length_c   6.72
_cell_angle_alpha   150.02
_cell_angle_beta   150.02
_cell_angle_gamma   42.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni2SnPd2
_chemical_formula_sum   'Ni2 Sn1 Pd2'
_cell_volume   75.58
_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
  Ni  Ni0  1  0.0  0.74  0.13  1.0
  Ni  Ni1  1  0.74  0.0  0.13  1.0
  Sn  Sn4  1  0.0  0.0  0.0  1.0
  Pd  Pd2  1  0.0  0.0  0.61  1.0
  Pd  Pd3  1  0.0  0.0  0.9  1.0

data_Ni2SnPd2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.92
_cell_length_b   4.92
_cell_length_c   6.72
_cell_angle_alpha   90.0
_cell_angle_beta   111.46
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ni2SnPd2
_chemical_formula_sum   'Ni4 Sn2 Pd4'
_cell_volume   151.17
_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
  Ni  Ni0  4  0.26  0.13  0.39  1.0
  Sn  Sn1  2  0.0  0.0  0.0  1.0
  Pd  Pd2  2  0.11  0.5  0.61  1.0
  Pd  Pd3  2  0.4  0.5  0.9  1.0

Ni Ni Sn Pd Pd
Ni Ni Sn Pd Pd 0 1 - + o 0 3 o + o 1 3 + o o 2 4 o o - 3 4 o o o 
Pd2Ni2Sn crystallizes in the monoclinic Cm space group. There are two inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a 5-coordinate geometry to one Pd(2) and four equivalent Ni(1) atoms. The Pd(1)-Pd(2) bond length is 1.97 Å. There are two shorter (1.92 Å) and two longer (2.61 Å) Pd(1)-Ni(1) bond lengths. In the second Pd site, Pd(2) is bonded in a single-bond geometry to one Pd(1) and one Sn(1) atom. The Pd(2)-Sn(1) bond length is 0.67 Å. Ni(1) is bonded in a 6-coordinate geometry to two equivalent Pd(1), three equivalent Ni(1), and one Sn(1) atom. There is one shorter (1.29 Å) and two longer (2.72 Å) Ni(1)-Ni(1) bond lengths. The Ni(1)-Sn(1) bond length is 2.54 Å. Sn(1) is bonded in a single-bond geometry to one Pd(2) and two equivalent Ni(1) atoms.