data_NiBPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.17
_cell_length_b   4.17
_cell_length_c   4.17
_cell_angle_alpha   123.72
_cell_angle_beta   123.72
_cell_angle_gamma   83.67
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiBPd2
_chemical_formula_sum   'Ni1 B1 Pd2'
_cell_volume   47.91
_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  0.1  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  Pd  Pd2  1  0.0  0.96  0.55  1.0
  Pd  Pd3  1  0.96  0.0  0.55  1.0

data_NiBPd2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.56
_cell_length_b   5.56
_cell_length_c   4.17
_cell_angle_alpha   90.0
_cell_angle_beta   131.83
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NiBPd2
_chemical_formula_sum   'Ni2 B2 Pd4'
_cell_volume   95.82
_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  2  0.0  0.0  0.1  1.0
  B  B1  2  0.0  0.0  0.0  1.0
  Pd  Pd2  4  0.02  0.02  0.59  1.0

Ni B Pd Pd
(Pd)2NiB is Zincblende, Sphalerite structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two nickel boride (nib) molecules and two Pd clusters. In each Pd cluster, Pd(1) is bonded in a single-bond geometry to one Pd(1) atom. The Pd(1)-Pd(1) bond length is 0.20 Å.