data_NaBe2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.86
_cell_length_b   2.86
_cell_length_c   6.95
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaBe2Pd
_chemical_formula_sum   'Na1 Be2 Pd1'
_cell_volume   56.96
_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  0.45  1.0
  Be  Be0  1  0.0  0.0  0.07  1.0
  Be  Be1  1  0.43  0.43  0.13  1.0
  Pd  Pd3  1  0.43  0.43  0.78  1.0

data_NaBe2Pd
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.05
_cell_length_b   4.05
_cell_length_c   6.95
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NaBe2Pd
_chemical_formula_sum   'Na2 Be4 Pd2'
_cell_volume   113.91
_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
  Na  Na0  2  0.0  0.0  0.45  1.0
  Be  Be1  2  0.0  0.0  0.07  1.0
  Be  Be2  2  0.43  0.0  0.13  1.0
  Pd  Pd3  2  0.43  0.0  0.78  1.0

Na Be Be Pd
Na Be Be Pd 0 2 - - o 0 2 - o o 0 2 o - o 0 2 o o o 0 3 - - o 0 3 - o o 0 3 o - o 0 3 o o o 0 0 + o o 0 0 o + o 0 1 o o o 1 2 - o o 1 2 o - o 1 2 o o o 1 3 o o - 1 3 o - - 1 3 - o - 1 3 - - - 2 3 o o - 3 3 + o o 3 3 o + o 
NaBe2Pd crystallizes in the monoclinic Cm space group. Na(1) is bonded in a 13-coordinate geometry to four equivalent Na(1), one Be(1), four equivalent Be(2), and four equivalent Pd(1) atoms. All Na(1)-Na(1) bond lengths are 2.86 Å. The Na(1)-Be(1) bond length is 2.64 Å. There are a spread of Na(1)-Be(2) bond distances ranging from 2.79-3.17 Å. There are a spread of Na(1)-Pd(1) bond distances ranging from 2.89-3.26 Å. There are two inequivalent Be sites. In the first Be site, Be(1) is bonded in a 8-coordinate geometry to one Na(1), four equivalent Be(2), and four equivalent Pd(1) atoms. There are a spread of Be(1)-Be(2) bond distances ranging from 1.81-2.35 Å. There are a spread of Be(1)-Pd(1) bond distances ranging from 2.65-3.05 Å. In the second Be site, Be(2) is bonded in a 9-coordinate geometry to four equivalent Na(1), four equivalent Be(1), and one Pd(1) atom. The Be(2)-Pd(1) bond length is 2.47 Å. Pd(1) is bonded in a 13-coordinate geometry to four equivalent Na(1), one Be(2), four equivalent Be(1), and four equivalent Pd(1) atoms. All Pd(1)-Pd(1) bond lengths are 2.86 Å.