data_NaMoRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.91
_cell_length_b   4.91
_cell_length_c   2.67
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   105.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaMoRu2
_chemical_formula_sum   'Na1 Mo1 Ru2'
_cell_volume   62.14
_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  0.0  1.0
  Mo  Mo0  1  0.97  0.0  0.0  1.0
  Ru  Ru2  1  0.49  0.96  0.34  1.0
  Ru  Ru3  1  0.49  0.04  0.34  1.0

data_NaMoRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.67
_cell_length_b   4.91
_cell_length_c   4.91
_cell_angle_alpha   105.54
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaMoRu2
_chemical_formula_sum   'Na1 Mo1 Ru2'
_cell_volume   62.14
_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
  Mo  Mo1  1  0.0  0.97  0.0  1.0
  Ru  Ru2  1  0.34  0.49  0.04  1.0
  Ru  Ru3  1  0.34  0.49  0.96  1.0

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