data_NaPd3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.69
_cell_length_b   13.97
_cell_length_c   4.97
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaPd3
_chemical_formula_sum   'Na6 Pd18'
_cell_volume   394.76
_cell_formula_units_Z   6
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  0.84  0.98  0.02  1.0
  Na  Na1  1  0.84  0.3  0.3  1.0
  Na  Na2  1  0.84  0.67  0.3  1.0
  Na  Na3  1  0.0  0.0  0.95  1.0
  Na  Na4  1  0.0  0.28  0.67  1.0
  Na  Na5  1  0.0  0.68  0.67  1.0
  Pd  Pd6  1  0.43  0.35  0.81  1.0
  Pd  Pd7  1  0.43  0.61  0.81  1.0
  Pd  Pd8  1  0.44  0.98  0.52  1.0
  Pd  Pd9  1  0.4  0.0  0.45  1.0
  Pd  Pd10  1  0.42  0.33  0.16  1.0
  Pd  Pd11  1  0.42  0.63  0.16  1.0
  Pd  Pd12  1  0.84  0.0  0.08  1.0
  Pd  Pd13  1  0.84  0.3  0.68  1.0
  Pd  Pd14  1  0.84  0.67  0.68  1.0
  Pd  Pd15  1  0.26  0.35  0.81  1.0
  Pd  Pd16  1  0.26  0.61  0.81  1.0
  Pd  Pd17  1  0.25  0.98  0.52  1.0
  Pd  Pd18  1  0.29  0.0  0.45  1.0
  Pd  Pd19  1  0.27  0.33  0.16  1.0
  Pd  Pd20  1  0.27  0.63  0.16  1.0
  Pd  Pd21  1  0.0  0.98  0.89  1.0
  Pd  Pd22  1  0.0  0.32  0.29  1.0
  Pd  Pd23  1  0.0  0.65  0.29  1.0

data_NaPd3
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.97
_cell_length_b   5.69
_cell_length_c   13.97
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaPd3
_chemical_formula_sum   'Na6 Pd18'
_cell_volume   394.76
_cell_formula_units_Z   6
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  0.02  0.84  0.98  1.0
  Na  Na1  1  0.3  0.84  0.3  1.0
  Na  Na2  1  0.3  0.84  0.67  1.0
  Na  Na3  1  0.67  0.0  0.28  1.0
  Na  Na4  1  0.67  0.0  0.68  1.0
  Na  Na5  1  0.95  0.0  0.0  1.0
  Pd  Pd6  1  0.08  0.84  0.0  1.0
  Pd  Pd7  1  0.16  0.27  0.33  1.0
  Pd  Pd8  1  0.16  0.27  0.63  1.0
  Pd  Pd9  1  0.16  0.42  0.33  1.0
  Pd  Pd10  1  0.16  0.42  0.63  1.0
  Pd  Pd11  1  0.29  0.0  0.32  1.0
  Pd  Pd12  1  0.29  0.0  0.65  1.0
  Pd  Pd13  1  0.45  0.29  0.0  1.0
  Pd  Pd14  1  0.45  0.4  0.0  1.0
  Pd  Pd15  1  0.52  0.25  0.98  1.0
  Pd  Pd16  1  0.52  0.44  0.98  1.0
  Pd  Pd17  1  0.68  0.84  0.3  1.0
  Pd  Pd18  1  0.68  0.84  0.67  1.0
  Pd  Pd19  1  0.81  0.26  0.35  1.0
  Pd  Pd20  1  0.81  0.26  0.61  1.0
  Pd  Pd21  1  0.81  0.43  0.35  1.0
  Pd  Pd22  1  0.81  0.43  0.61  1.0
  Pd  Pd23  1  0.89  0.0  0.98  1.0

Na Na Na Na Na Na Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd
Na Na Na Na Na Na Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd Pd 0 12 o + o 1 22 + o o 2 23 + o o 3 21 o - o 4 13 - o o 5 14 - o o 6 15 o o o 7 16 o o o 8 9 o + o 10 19 o o o 11 20 o o o 17 18 o + o 