data_NaRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.26
_cell_length_b   5.26
_cell_length_c   17.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaRu2
_chemical_formula_sum   'Na8 Ru16'
_cell_volume   408.15
_cell_formula_units_Z   8
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  0.06  1.0
  Na  Na1  1  0.0  0.0  0.97  1.0
  Na  Na2  1  0.0  0.0  0.54  1.0
  Na  Na3  1  0.0  0.0  0.49  1.0
  Na  Na4  1  0.0  0.04  0.85  1.0
  Na  Na5  1  0.63  0.52  0.18  1.0
  Na  Na6  1  0.63  0.52  0.37  1.0
  Na  Na7  1  0.0  0.04  0.66  1.0
  Ru  Ru8  1  0.0  0.04  0.85  1.0
  Ru  Ru9  1  0.63  0.52  0.18  1.0
  Ru  Ru10  1  0.63  0.52  0.34  1.0
  Ru  Ru11  1  0.0  0.04  0.69  1.0
  Ru  Ru12  1  0.32  0.28  0.52  1.0
  Ru  Ru13  1  0.63  0.0  0.52  1.0
  Ru  Ru14  1  0.68  0.28  0.52  1.0
  Ru  Ru15  1  0.32  0.28  0.0  1.0
  Ru  Ru16  1  0.63  0.0  0.0  1.0
  Ru  Ru17  1  0.68  0.28  0.0  1.0
  Ru  Ru18  1  0.6  0.85  0.77  1.0
  Ru  Ru19  1  0.0  0.42  0.77  1.0
  Ru  Ru20  1  0.4  0.85  0.77  1.0
  Ru  Ru21  1  0.03  0.71  0.26  1.0
  Ru  Ru22  1  0.63  0.13  0.26  1.0
  Ru  Ru23  1  0.23  0.71  0.26  1.0

data_NaRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.26
_cell_length_b   5.26
_cell_length_c   17.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaRu2
_chemical_formula_sum   'Na8 Ru16'
_cell_volume   408.15
_cell_formula_units_Z   8
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  0.06  1.0
  Na  Na1  1  0.0  0.0  0.49  1.0
  Na  Na2  1  0.0  0.0  0.54  1.0
  Na  Na3  1  0.0  0.0  0.97  1.0
  Na  Na4  1  0.0  0.04  0.66  1.0
  Na  Na5  1  0.0  0.04  0.85  1.0
  Na  Na6  1  0.63  0.52  0.18  1.0
  Na  Na7  1  0.63  0.52  0.37  1.0
  Ru  Ru8  1  0.0  0.04  0.69  1.0
  Ru  Ru9  1  0.0  0.04  0.85  1.0
  Ru  Ru10  1  0.0  0.42  0.77  1.0
  Ru  Ru11  1  0.03  0.71  0.26  1.0
  Ru  Ru12  1  0.23  0.71  0.26  1.0
  Ru  Ru13  1  0.32  0.28  0.0  1.0
  Ru  Ru14  1  0.32  0.28  0.52  1.0
  Ru  Ru15  1  0.4  0.85  0.77  1.0
  Ru  Ru16  1  0.6  0.85  0.77  1.0
  Ru  Ru17  1  0.63  0.0  0.0  1.0
  Ru  Ru18  1  0.63  0.0  0.52  1.0
  Ru  Ru19  1  0.63  0.13  0.26  1.0
  Ru  Ru20  1  0.63  0.52  0.18  1.0
  Ru  Ru21  1  0.63  0.52  0.34  1.0
  Ru  Ru22  1  0.68  0.28  0.0  1.0
  Ru  Ru23  1  0.68  0.28  0.52  1.0

Na Na Na Na Na Na Na Na Ru Ru Ru Ru Ru Ru Ru Ru Ru Ru Ru Ru Ru Ru Ru Ru 0 1 o o - 0 15 o o o 1 15 o o + 2 3 o o o 2 12 o o o 3 12 o o o 4 8 o o o 4 19 o o o 5 9 o o o 5 22 o o o 6 10 o o o 6 22 o o o 7 11 o o o 7 19 o o o 8 19 o o o 9 22 o o o 10 22 o o o 11 19 o o o 12 14 o o o 13 14 o o o 15 17 o o o 16 17 o o o 18 20 o o o 18 19 + + o 18 19 o o o 19 20 o o o 21 23 o o o 21 22 o + o 21 22 - o o 22 23 o - o 