data_NaFe2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.04
_cell_length_b   5.04
_cell_length_c   5.04
_cell_angle_alpha   136.16
_cell_angle_beta   136.16
_cell_angle_gamma   63.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaFe2Pd
_chemical_formula_sum   'Na1 Fe2 Pd1'
_cell_volume   60.55
_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
  Fe  Fe0  1  0.0  0.88  0.14  1.0
  Fe  Fe1  1  0.88  0.0  0.14  1.0
  Pd  Pd3  1  0.0  0.0  0.28  1.0

data_NaFe2Pd
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.32
_cell_length_b   5.32
_cell_length_c   5.04
_cell_angle_alpha   90.0
_cell_angle_beta   121.87
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NaFe2Pd
_chemical_formula_sum   'Na2 Fe4 Pd2'
_cell_volume   121.1
_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  0.0  1.0
  Fe  Fe1  4  0.06  0.06  0.26  1.0
  Pd  Pd2  2  0.0  0.0  0.28  1.0

Na Fe Fe Pd
NaFe2Pd crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two NaFe2Pd clusters. Na(1) is bonded in a 2-coordinate geometry to two equivalent Fe(1) atoms. Both Na(1)-Fe(1) bond lengths are 1.21 Å. Fe(1) is bonded in a 1-coordinate geometry to one Na(1) and one Pd(1) atom. The Fe(1)-Pd(1) bond length is 0.50 Å. Pd(1) is bonded in a distorted L-shaped geometry to two equivalent Fe(1) atoms.