data_NiPd2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.26
_cell_length_b   5.26
_cell_length_c   5.26
_cell_angle_alpha   147.64
_cell_angle_beta   126.64
_cell_angle_gamma   63.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiPd2Cl
_chemical_formula_sum   'Ni1 Pd2 Cl1'
_cell_volume   61.67
_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  Ni1  1  0.0  0.0  0.46  1.0
  Pd  Pd2  1  0.46  0.0  0.29  1.0
  Pd  Pd3  1  0.0  0.36  0.17  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_NiPd2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.93
_cell_length_b   4.72
_cell_length_c   5.26
_cell_angle_alpha   116.68
_cell_angle_beta   106.18
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiPd2Cl
_chemical_formula_sum   'Ni1 Pd2 Cl1'
_cell_volume   61.67
_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  0.46  0.46  1.0
  Pd  Pd1  1  0.0  0.29  0.82  1.0
  Pd  Pd2  1  0.64  0.81  0.81  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Ni Pd Pd Cl
Ni Pd Pd Cl 0 2 o o + 0 2 o - o 0 1 - o o 0 3 o o o 1 3 o o o 1 2 o o o 2 3 o o o 
Pd2NiCl crystallizes in the triclinic P1 space group. There are two inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a distorted single-bond geometry to one Ni(1) and one Cl(1) atom. The Pd(1)-Ni(1) bond length is 2.39 Å. The Pd(1)-Cl(1) bond length is 1.96 Å. In the second Pd site, Pd(2) is bonded in a distorted single-bond geometry to two equivalent Ni(1) and one Cl(1) atom. There is one shorter (2.24 Å) and one longer (2.37 Å) Pd(2)-Ni(1) bond length. The Pd(2)-Cl(1) bond length is 1.22 Å. Ni(1) is bonded in a 4-coordinate geometry to one Pd(1), two equivalent Pd(2), and one Cl(1) atom. The Ni(1)-Cl(1) bond length is 2.42 Å. Cl(1) is bonded in a 1-coordinate geometry to one Pd(1), one Pd(2), and one Ni(1) atom.