data_Na3Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.52
_cell_length_b   6.52
_cell_length_c   5.19
_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   'Na6 Pd2'
_cell_volume   190.75
_cell_formula_units_Z   2
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  0.75  0.01  0.3  1.0
  Na  Na1  1  0.26  0.63  0.3  1.0
  Na  Na2  1  0.49  0.64  0.89  1.0
  Na  Na3  1  0.0  0.02  0.89  1.0
  Na  Na4  1  0.51  0.64  0.89  1.0
  Na  Na5  1  0.77  0.01  0.3  1.0
  Pd  Pd6  1  0.26  0.88  0.89  1.0
  Pd  Pd7  1  0.0  0.76  0.3  1.0

data_Na3Pd
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.19
_cell_length_b   6.52
_cell_length_c   6.52
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Na3Pd
_chemical_formula_sum   'Na6 Pd2'
_cell_volume   190.75
_cell_formula_units_Z   2
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  0.2  0.13  0.31  1.0
  Na  Na1  2  0.2  0.62  0.69  1.0
  Na  Na2  2  0.2  0.64  0.69  1.0
  Pd  Pd3  2  0.2  0.87  0.44  1.0

Na Na Na Na Na Na Pd Pd
Na Na Na Na Na Na Pd Pd 0 5 o o o 0 1 o - o 0 3 + o - 0 7 + - o 1 6 o o - 1 7 o o o 1 4 o o - 1 2 o o - 2 4 o o o 2 6 o o o 3 5 - o + 3 4 - - o 3 6 o - o 3 7 o - + 4 6 o o o 5 7 + - o 6 7 o o + 