data_NiPd2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.99
_cell_length_b   2.99
_cell_length_c   6.63
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   92.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiPd2Se
_chemical_formula_sum   'Ni1 Pd2 Se1'
_cell_volume   59.34
_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  0.0  0.0  1.0
  Pd  Pd1  1  0.06  0.0  0.56  1.0
  Pd  Pd2  1  0.06  0.0  0.07  1.0
  Se  Se3  1  0.0  0.0  0.32  1.0

data_NiPd2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.99
_cell_length_b   2.99
_cell_length_c   6.63
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   92.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiPd2Se
_chemical_formula_sum   'Ni1 Pd2 Se1'
_cell_volume   59.34
_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  0.0  0.0  1.0
  Pd  Pd1  1  0.06  0.0  0.07  1.0
  Pd  Pd2  1  0.06  0.0  0.56  1.0
  Se  Se3  1  0.0  0.0  0.32  1.0

Ni Pd Pd Se
Pd2NiSe crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Pd2NiSe cluster. There are two inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a distorted single-bond geometry to one Se(1) atom. The Pd(1)-Se(1) bond length is 1.66 Å. In the second Pd site, Pd(2) is bonded in a distorted single-bond geometry to one Ni(1) and one Se(1) atom. The Pd(2)-Ni(1) bond length is 0.48 Å. The Pd(2)-Se(1) bond length is 1.66 Å. Ni(1) is bonded in a single-bond geometry to one Pd(2) atom. Se(1) is bonded in a linear geometry to one Pd(1) and one Pd(2) atom.