data_NaReRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.71
_cell_length_b   4.2
_cell_length_c   5.65
_cell_angle_alpha   90.0
_cell_angle_beta   99.8
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaReRu2
_chemical_formula_sum   'Na1 Re1 Ru2'
_cell_volume   63.41
_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
  Re  Re1  1  0.87  0.0  0.79  1.0
  Ru  Ru2  1  0.13  0.1  0.01  1.0
  Ru  Ru3  1  0.62  0.1  0.56  1.0

data_NaReRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.71
_cell_length_b   4.2
_cell_length_c   5.65
_cell_angle_alpha   90.0
_cell_angle_beta   99.8
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaReRu2
_chemical_formula_sum   'Na1 Re1 Ru2'
_cell_volume   63.41
_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
  Re  Re1  1  0.87  0.0  0.79  1.0
  Ru  Ru2  1  0.13  0.1  0.01  1.0
  Ru  Ru3  1  0.62  0.1  0.56  1.0

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