data_Na2LiPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.36
_cell_length_b   5.36
_cell_length_c   3.11
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   114.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2LiPd
_chemical_formula_sum   'Na2 Li1 Pd1'
_cell_volume   81.78
_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  Na1  1  0.46  0.25  0.56  1.0
  Na  Na2  1  0.46  0.75  0.56  1.0
  Li  Li0  1  0.0  0.0  0.0  1.0
  Pd  Pd3  1  0.92  0.0  0.0  1.0

data_Na2LiPd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.11
_cell_length_b   5.36
_cell_length_c   5.36
_cell_angle_alpha   114.03
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2LiPd
_chemical_formula_sum   'Na2 Li1 Pd1'
_cell_volume   81.78
_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  0.56  0.46  0.25  1.0
  Na  Na1  1  0.56  0.46  0.75  1.0
  Li  Li2  1  0.0  0.0  0.0  1.0
  Pd  Pd3  1  0.0  0.92  0.0  1.0

Na Na Li Pd
Na2LiPd crystallizes in the triclinic P1 space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 8-coordinate geometry to two equivalent Na(1), two equivalent Na(2), two equivalent Li(1), and two equivalent Pd(1) atoms. Both Na(1)-Na(1) bond lengths are 3.11 Å. There is one shorter (2.67 Å) and one longer (2.69 Å) Na(1)-Na(2) bond length. There is one shorter (2.66 Å) and one longer (2.86 Å) Na(1)-Li(1) bond length. There is one shorter (3.53 Å) and one longer (3.68 Å) Na(1)-Pd(1) bond length. In the second Na site, Na(2) is bonded in a 2-coordinate geometry to two equivalent Na(1) and two equivalent Pd(1) atoms. There is one shorter (2.66 Å) and one longer (2.86 Å) Na(2)-Pd(1) bond length. Li(1) is bonded in a single-bond geometry to two equivalent Na(1) and one Pd(1) atom. The Li(1)-Pd(1) bond length is 0.43 Å. Pd(1) is bonded in a single-bond geometry to two equivalent Na(1), two equivalent Na(2), and one Li(1) atom.