data_NaAlRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.78
_cell_length_b   3.69
_cell_length_c   6.92
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaAlRu2
_chemical_formula_sum   'Na1 Al1 Ru2'
_cell_volume   70.99
_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  Na1  1  0.0  0.0  0.27  1.0
  Al  Al0  1  0.39  0.85  0.0  1.0
  Ru  Ru2  1  0.39  0.85  0.48  1.0
  Ru  Ru3  1  0.0  0.0  0.64  1.0

data_NaAlRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.78
_cell_length_b   3.69
_cell_length_c   6.92
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaAlRu2
_chemical_formula_sum   'Na1 Al1 Ru2'
_cell_volume   70.99
_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  0.27  1.0
  Al  Al1  1  0.39  0.85  0.0  1.0
  Ru  Ru2  1  0.0  0.0  0.64  1.0
  Ru  Ru3  1  0.39  0.85  0.48  1.0

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