data_Na3Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.45
_cell_length_b   5.45
_cell_length_c   5.62
_cell_angle_alpha   99.73
_cell_angle_beta   99.73
_cell_angle_gamma   34.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na3Pd
_chemical_formula_sum   'Na3 Pd1'
_cell_volume   93.84
_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
  Na  Na0  1  0.68  0.0  0.56  1.0
  Na  Na1  1  0.73  0.0  0.98  1.0
  Na  Na2  1  0.0  0.0  0.0  1.0
  Pd  Pd3  1  0.7  0.0  0.77  1.0

data_Na3Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.26
_cell_length_b   5.45
_cell_length_c   5.62
_cell_angle_alpha   99.73
_cell_angle_beta   90.0
_cell_angle_gamma   107.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na3Pd
_chemical_formula_sum   'Na3 Pd1'
_cell_volume   93.84
_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
  Na  Na0  1  0.0  0.0  0.0  1.0
  Na  Na1  1  0.0  0.27  0.02  1.0
  Na  Na2  1  0.0  0.32  0.44  1.0
  Pd  Pd3  1  0.0  0.3  0.23  1.0

Na Na Na Pd
Na3Pd crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Na3Pd cluster. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded in a single-bond geometry to one Pd(1) atom. The Na(1)-Pd(1) bond length is 1.15 Å. In the second Na site, Na(2) is bonded in a single-bond geometry to one Na(3) and one Pd(1) atom. The Na(2)-Na(3) bond length is 1.43 Å. The Na(2)-Pd(1) bond length is 1.15 Å. In the third Na site, Na(3) is bonded in a 2-coordinate geometry to one Na(2) and one Pd(1) atom. The Na(3)-Pd(1) bond length is 1.89 Å. Pd(1) is bonded in a distorted linear geometry to one Na(1), one Na(2), and one Na(3) atom.