[CIF]
data_Nb3Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.87281972
_cell_length_b   9.87281972
_cell_length_c   9.87281972
_cell_angle_alpha   157.78031239
_cell_angle_beta   157.78031239
_cell_angle_gamma   31.62683820
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb3Ru
_chemical_formula_sum   'Nb6 Ru2'
_cell_volume   137.51470825
_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  0.00000000  1.90239913  -0.00000000  1
  Nb  Nb1  1  -0.00000000  0.00000000  2.35368229  1
  Nb  Nb2  1  0.00000000  0.00000000  16.64466757  1
  Nb  Nb3  1  -0.00000000  1.90239913  4.74958747  1
  Nb  Nb4  1  1.90239912  0.00000000  4.74958747  1
  Nb  Nb5  1  1.90239913  0.00000000  -0.00000000  1
  Ru  Ru6  1  -0.00000000  0.00000000  7.09188604  1
  Ru  Ru7  1  0.00000000  -0.00000000  11.90646382  1
[/CIF]
