data_NaPd3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.76
_cell_length_b   2.76
_cell_length_c   9.21
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   108.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaPd3
_chemical_formula_sum   'Na1 Pd3'
_cell_volume   66.46
_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  0.0  1.0
  Pd  Pd1  1  0.0  0.0  0.61  1.0
  Pd  Pd2  1  0.61  0.0  0.81  1.0
  Pd  Pd3  1  0.61  0.0  0.4  1.0

data_NaPd3
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.76
_cell_length_b   2.76
_cell_length_c   9.21
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   108.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaPd3
_chemical_formula_sum   'Na1 Pd3'
_cell_volume   66.46
_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  0.0  1.0
  Pd  Pd1  1  0.0  0.0  0.61  1.0
  Pd  Pd2  1  0.61  0.0  0.4  1.0
  Pd  Pd3  1  0.61  0.0  0.81  1.0

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