data_NaPdRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.21
_cell_length_b   5.21
_cell_length_c   2.62
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaPdRu2
_chemical_formula_sum   'Na1 Pd1 Ru2'
_cell_volume   61.29
_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  0.59  0.0  0.0  1.0
  Ru  Ru2  1  0.29  0.74  0.31  1.0
  Ru  Ru3  1  0.29  0.26  0.31  1.0

data_NaPdRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.62
_cell_length_b   5.18
_cell_length_c   5.21
_cell_angle_alpha   119.81
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaPdRu2
_chemical_formula_sum   'Na1 Pd1 Ru2'
_cell_volume   61.29
_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  0.59  1.0
  Ru  Ru2  1  0.31  0.26  0.55  1.0
  Ru  Ru3  1  0.31  0.74  0.04  1.0

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