data_NaNb2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.79
_cell_length_b   10.79
_cell_length_c   10.79
_cell_angle_alpha   15.32
_cell_angle_beta   15.32
_cell_angle_gamma   15.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaNb2Pd
_chemical_formula_sum   'Na1 Nb2 Pd1'
_cell_volume   76.46
_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
  Nb  Nb1  1  0.0  0.0  0.33  1.0
  Nb  Nb2  1  0.0  0.0  0.66  1.0
  Pd  Pd3  1  0.0  0.0  1.0  1.0

data_NaNb2Pd
_symmetry_space_group_name_H-M   C2/m
_cell_length_a   4.98
_cell_length_b   2.88
_cell_length_c   10.79
_cell_angle_alpha   90.0
_cell_angle_beta   98.85
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   12
_chemical_formula_structural   NaNb2Pd
_chemical_formula_sum   'Na2 Nb4 Pd2'
_cell_volume   152.93
_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, y, -z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z'
  6  '-x+1/2, -y+1/2, -z'
  7  '-x+1/2, y+1/2, -z'
  8  '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
  Nb  Nb1  4  0.0  0.0  0.33  1.0
  Pd  Pd2  2  0.0  0.0  0.0  1.0

NaNb2Pd crystallizes in the monoclinic Cm space group. Na(1) is bonded in a single-bond geometry to one Nb(1) and one Pd(1) atom. The Na(1)-Nb(1) bond length is 3.61 Å. The Na(1)-Pd(1) bond length is 0.01 Å. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one Na(1), one Nb(2), and six equivalent Nb(1) atoms to form distorted NbNaNb7 hexagonal bipyramids that share corners with six equivalent Nb(1)NaNb7 hexagonal bipyramids, edges with six equivalent Nb(2)Nb7Pd hexagonal bipyramids, and edges with twelve equivalent Nb(1)NaNb7 hexagonal bipyramids. The Nb(1)-Nb(2) bond length is 3.57 Å. All Nb(1)-Nb(1) bond lengths are 2.88 Å. In the second Nb site, Nb(2) is bonded to one Nb(1), six equivalent Nb(2), and one Pd(1) atom to form distorted NbNb7Pd hexagonal bipyramids that share corners with six equivalent Nb(2)Nb7Pd hexagonal bipyramids, edges with six equivalent Nb(1)NaNb7 hexagonal bipyramids, and edges with twelve equivalent Nb(2)Nb7Pd hexagonal bipyramids. All Nb(2)-Nb(2) bond lengths are 2.88 Å. The Nb(2)-Pd(1) bond length is 3.61 Å. Pd(1) is bonded in a single-bond geometry to one Na(1) and one Nb(2) atom.