data_NaNb2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.76
_cell_length_b   2.76
_cell_length_c   10.55
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   108.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaNb2Pd
_chemical_formula_sum   'Na1 Nb2 Pd1'
_cell_volume   76.31
_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  0.61  0.0  0.99  1.0
  Nb  Nb2  1  0.61  0.0  0.56  1.0
  Pd  Pd3  1  0.0  0.0  0.28  1.0

data_NaNb2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.76
_cell_length_b   2.76
_cell_length_c   10.55
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   108.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaNb2Pd
_chemical_formula_sum   'Na1 Nb2 Pd1'
_cell_volume   76.31
_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  0.61  0.0  0.56  1.0
  Nb  Nb2  1  0.61  0.0  0.99  1.0
  Pd  Pd3  1  0.0  0.0  0.28  1.0

Na Nb Nb Pd
Na Nb Nb Pd 0 1 - o - 0 3 o o o 1 3 + o + 2 2 + + o 2 2 o + o 2 2 + o o 2 3 + o o 3 3 + + o 3 3 o + o 3 3 + o o 