data_NbRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.78
_cell_length_b   7.6
_cell_length_c   4.33
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbRu2
_chemical_formula_sum   'Nb2 Ru4'
_cell_volume   91.61
_cell_formula_units_Z   2
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
  Nb  Nb0  1  0.0  0.0  0.0  1.0
  Nb  Nb1  1  0.39  0.8  0.16  1.0
  Ru  Ru2  1  0.59  0.54  0.0  1.0
  Ru  Ru3  1  0.8  0.34  0.16  1.0
  Ru  Ru4  1  0.98  0.26  0.16  1.0
  Ru  Ru5  1  0.2  0.06  0.0  1.0

data_NbRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.78
_cell_length_b   4.33
_cell_length_c   7.6
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbRu2
_chemical_formula_sum   'Nb2 Ru4'
_cell_volume   91.61
_cell_formula_units_Z   2
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
  Nb  Nb0  1  0.0  0.0  0.0  1.0
  Nb  Nb1  1  0.61  0.84  0.2  1.0
  Ru  Ru2  1  0.02  0.84  0.74  1.0
  Ru  Ru3  1  0.2  0.84  0.66  1.0
  Ru  Ru4  1  0.41  0.0  0.46  1.0
  Ru  Ru5  1  0.8  0.0  0.94  1.0

Nb Nb Ru Ru Ru Ru