data_NaNbPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.19
_cell_length_b   5.19
_cell_length_c   5.19
_cell_angle_alpha   135.63
_cell_angle_beta   135.63
_cell_angle_gamma   64.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaNbPd2
_chemical_formula_sum   'Na1 Nb1 Pd2'
_cell_volume   67.46
_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  0.96  0.19  1.0
  Pd  Pd2  1  0.0  0.0  0.39  1.0
  Pd  Pd3  1  0.96  0.0  0.19  1.0

data_NaNbPd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.92
_cell_length_b   3.92
_cell_length_c   5.19
_cell_angle_alpha   112.18
_cell_angle_beta   112.18
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaNbPd2
_chemical_formula_sum   'Na1 Nb1 Pd2'
_cell_volume   67.46
_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  0.77  0.96  0.77  1.0
  Pd  Pd2  1  0.61  0.0  0.61  1.0
  Pd  Pd3  1  0.81  0.0  0.77  1.0

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