data_La2NbRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.32
_cell_length_b   4.45
_cell_length_c   6.3
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2NbRu
_chemical_formula_sum   'La2 Nb1 Ru1'
_cell_volume   93.0
_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
  La  La0  1  0.0  0.0  0.12  1.0
  La  La1  1  0.66  0.22  0.8  1.0
  Nb  Nb2  1  0.0  0.0  0.49  1.0
  Ru  Ru3  1  0.66  0.22  0.34  1.0

data_La2NbRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.32
_cell_length_b   4.45
_cell_length_c   6.3
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2NbRu
_chemical_formula_sum   'La2 Nb1 Ru1'
_cell_volume   93.0
_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
  La  La0  1  0.0  0.0  0.12  1.0
  La  La1  1  0.66  0.22  0.8  1.0
  Nb  Nb2  1  0.0  0.0  0.49  1.0
  Ru  Ru3  1  0.66  0.22  0.34  1.0

La La Nb Ru
La2NbRu crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one La2NbRu cluster. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 1-coordinate geometry to one Ru(1) atom. The La(1)-Ru(1) bond length is 2.07 Å. In the second La site, La(2) is bonded in a 1-coordinate geometry to one Nb(1) atom. The La(2)-Nb(1) bond length is 2.46 Å. Nb(1) is bonded in a distorted single-bond geometry to one La(2) and one Ru(1) atom. The Nb(1)-Ru(1) bond length is 1.75 Å. Ru(1) is bonded in a 2-coordinate geometry to one La(1) and one Nb(1) atom.