data_Na3Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.29
_cell_length_b   5.16
_cell_length_c   5.62
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na3Pd
_chemical_formula_sum   'Na3 Pd1'
_cell_volume   95.54
_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  0.65  0.0  0.17  1.0
  Na  Na1  1  0.0  0.0  0.68  1.0
  Na  Na2  1  0.0  0.58  0.67  1.0
  Pd  Pd3  1  0.65  0.58  0.85  1.0

data_Na3Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.29
_cell_length_b   5.16
_cell_length_c   5.62
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na3Pd
_chemical_formula_sum   'Na3 Pd1'
_cell_volume   95.54
_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  0.68  1.0
  Na  Na1  1  0.0  0.58  0.67  1.0
  Na  Na2  1  0.65  0.0  0.17  1.0
  Pd  Pd3  1  0.65  0.58  0.85  1.0

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