data_NaPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.04
_cell_length_b   4.83
_cell_length_c   6.11
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaPd
_chemical_formula_sum   'Na4 Pd4'
_cell_volume   148.66
_cell_formula_units_Z   4
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  0.64  0.21  0.34  1.0
  Na  Na1  1  0.91  0.62  0.29  1.0
  Na  Na2  1  0.13  0.21  0.82  1.0
  Na  Na3  1  0.39  0.62  0.77  1.0
  Pd  Pd4  1  0.73  0.21  0.27  1.0
  Pd  Pd5  1  0.82  0.62  0.32  1.0
  Pd  Pd6  1  0.22  0.21  0.79  1.0
  Pd  Pd7  1  0.3  0.62  0.84  1.0

data_NaPd
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.83
_cell_length_b   5.04
_cell_length_c   6.11
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   NaPd
_chemical_formula_sum   'Na4 Pd4'
_cell_volume   148.66
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.29  0.61  0.27  1.0
  Na  Na1  2  0.29  0.13  0.79  1.0
  Pd  Pd2  2  0.29  0.7  0.23  1.0
  Pd  Pd3  2  0.29  0.22  0.71  1.0

Na Na Na Na Pd Pd Pd Pd