data_NaReRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.15
_cell_length_b   6.15
_cell_length_c   6.15
_cell_angle_alpha   153.92
_cell_angle_beta   146.37
_cell_angle_gamma   43.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaReRu
_chemical_formula_sum   'Na1 Re1 Ru1'
_cell_volume   56.59
_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  0.43  1.0
  Re  Re1  1  0.0  0.0  0.03  1.0
  Ru  Ru2  1  0.0  0.0  0.44  1.0

data_NaReRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.78
_cell_length_b   3.56
_cell_length_c   6.15
_cell_angle_alpha   106.81
_cell_angle_beta   103.04
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaReRu
_chemical_formula_sum   'Na1 Re1 Ru1'
_cell_volume   56.59
_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  0.57  0.57  0.57  1.0
  Re  Re1  1  0.97  0.97  0.97  1.0
  Ru  Ru2  1  0.56  0.56  0.56  1.0

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