data_NaB2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.27
_cell_length_b   4.27
_cell_length_c   2.7
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaB2Pd
_chemical_formula_sum   'Na1 B2 Pd1'
_cell_volume   46.54
_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  Na2  1  0.0  0.0  0.0  1.0
  B  B0  1  0.24  0.26  0.35  1.0
  B  B1  1  0.24  0.74  0.35  1.0
  Pd  Pd3  1  0.48  0.0  0.0  1.0

data_NaB2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.7
_cell_length_b   4.27
_cell_length_c   4.27
_cell_angle_alpha   109.03
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaB2Pd
_chemical_formula_sum   'Na1 B2 Pd1'
_cell_volume   46.54
_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
  B  B1  1  0.35  0.24  0.26  1.0
  B  B2  1  0.35  0.24  0.74  1.0
  Pd  Pd3  1  -0.0  0.48  0.0  1.0

Na B B Pd
Na B B Pd 0 1 o o o 2 3 o + o 
NaPdB2 crystallizes in the triclinic P1 space group. Na(1) is bonded in a 1-coordinate geometry to two equivalent Pd(1), one B(1), and two equivalent B(2) atoms. There is one shorter (2.04 Å) and one longer (2.23 Å) Na(1)-Pd(1) bond length. The Na(1)-B(1) bond length is 1.56 Å. There is one shorter (1.98 Å) and one longer (2.47 Å) Na(1)-B(2) bond length. Pd(1) is bonded in a 5-coordinate geometry to two equivalent Na(1), one B(1), and two equivalent B(2) atoms. The Pd(1)-B(1) bond length is 1.98 Å. There is one shorter (1.56 Å) and one longer (2.15 Å) Pd(1)-B(2) bond length. There are two inequivalent B sites. In the first B site, B(1) is bonded in a 1-coordinate geometry to one Na(1), one Pd(1), and one B(2) atom. The B(1)-B(2) bond length is 2.03 Å. In the second B site, B(2) is bonded in a 5-coordinate geometry to two equivalent Na(1), two equivalent Pd(1), and one B(1) atom.