data_NaPd2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.64
_cell_length_b   9.64
_cell_length_c   9.64
_cell_angle_alpha   16.68
_cell_angle_beta   16.68
_cell_angle_gamma   16.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaPd2Ru
_chemical_formula_sum   'Na1 Pd2 Ru1'
_cell_volume   64.3
_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  0.96  1.0
  Pd  Pd2  1  0.0  0.0  0.54  1.0
  Ru  Ru3  1  0.0  0.0  0.25  1.0

data_NaPd2Ru
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.84
_cell_length_b   2.8
_cell_length_c   9.64
_cell_angle_alpha   90.0
_cell_angle_beta   99.64
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NaPd2Ru
_chemical_formula_sum   'Na2 Pd4 Ru2'
_cell_volume   128.59
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.0  0.0  0.0  1.0
  Ru  Ru1  2  -0.0  0.0  0.75  1.0
  Pd  Pd2  2  -0.0  0.0  0.46  1.0
  Pd  Pd3  2  -0.0  0.0  0.04  1.0

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