data_Na3Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.5
_cell_length_b   6.5
_cell_length_c   15.66
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na3Pd
_chemical_formula_sum   'Na18 Pd6'
_cell_volume   572.89
_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  0.74  0.74  0.74  1.0
  Na  Na1  1  0.51  0.89  0.91  1.0
  Na  Na2  1  0.0  0.88  0.33  1.0
  Na  Na3  1  0.0  0.88  0.16  1.0
  Na  Na4  1  0.38  0.69  0.33  1.0
  Na  Na5  1  0.38  0.69  0.16  1.0
  Na  Na6  1  0.63  0.94  0.33  1.0
  Na  Na7  1  0.63  0.94  0.5  1.0
  Na  Na8  1  0.25  0.16  0.74  1.0
  Na  Na9  1  0.0  0.47  0.91  1.0
  Na  Na10  1  0.76  0.74  0.74  1.0
  Na  Na11  1  0.49  0.89  0.91  1.0
  Na  Na12  1  0.62  0.69  0.33  1.0
  Na  Na13  1  0.62  0.69  0.16  1.0
  Na  Na14  1  0.87  0.94  0.33  1.0
  Na  Na15  1  0.87  0.94  0.5  1.0
  Na  Na16  1  0.25  0.75  0.33  1.0
  Na  Na17  1  0.25  0.75  0.5  1.0
  Pd  Pd18  1  0.0  0.0  0.74  1.0
  Pd  Pd19  1  0.0  0.0  0.91  1.0
  Pd  Pd20  1  0.0  0.75  0.24  1.0
  Pd  Pd21  1  0.0  0.75  0.59  1.0
  Pd  Pd22  1  0.25  0.88  0.41  1.0
  Pd  Pd23  1  0.25  0.88  0.07  1.0

data_Na3Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.5
_cell_length_b   6.5
_cell_length_c   15.66
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na3Pd
_chemical_formula_sum   'Na18 Pd6'
_cell_volume   572.89
_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  0.0  0.47  0.91  1.0
  Na  Na1  1  0.0  0.88  0.16  1.0
  Na  Na2  1  0.0  0.88  0.33  1.0
  Na  Na3  1  0.25  0.16  0.74  1.0
  Na  Na4  1  0.25  0.75  0.33  1.0
  Na  Na5  1  0.25  0.75  0.5  1.0
  Na  Na6  1  0.38  0.69  0.16  1.0
  Na  Na7  1  0.38  0.69  0.33  1.0
  Na  Na8  1  0.49  0.89  0.91  1.0
  Na  Na9  1  0.51  0.89  0.91  1.0
  Na  Na10  1  0.62  0.69  0.16  1.0
  Na  Na11  1  0.62  0.69  0.33  1.0
  Na  Na12  1  0.63  0.94  0.33  1.0
  Na  Na13  1  0.63  0.94  0.5  1.0
  Na  Na14  1  0.74  0.74  0.74  1.0
  Na  Na15  1  0.76  0.74  0.74  1.0
  Na  Na16  1  0.87  0.94  0.33  1.0
  Na  Na17  1  0.87  0.94  0.5  1.0
  Pd  Pd18  1  0.0  0.0  0.74  1.0
  Pd  Pd19  1  0.0  0.0  0.91  1.0
  Pd  Pd20  1  0.0  0.75  0.24  1.0
  Pd  Pd21  1  0.0  0.75  0.59  1.0
  Pd  Pd22  1  0.25  0.88  0.07  1.0
  Pd  Pd23  1  0.25  0.88  0.41  1.0

Na Na Na Na Na Na Na Na Na Na Na Na Na Na Na Na Na Na Pd Pd Pd Pd Pd Pd