data_Nb2SiRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.2
_cell_length_b   5.2
_cell_length_c   5.2
_cell_angle_alpha   143.9
_cell_angle_beta   131.93
_cell_angle_gamma   61.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2SiRu
_chemical_formula_sum   'Nb2 Si1 Ru1'
_cell_volume   61.01
_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
  Nb  Nb0  1  0.0  0.12  0.23  1.0
  Nb  Nb1  1  0.61  0.0  0.24  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0
  Ru  Ru2  1  0.0  0.0  0.47  1.0

data_Nb2SiRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.22
_cell_length_b   4.24
_cell_length_c   5.2
_cell_angle_alpha   114.03
_cell_angle_beta   108.05
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2SiRu
_chemical_formula_sum   'Nb2 Si1 Ru1'
_cell_volume   61.01
_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
  Nb  Nb0  1  0.37  0.76  0.37  1.0
  Nb  Nb1  1  0.77  0.89  0.89  1.0
  Si  Si2  1  0.0  0.0  0.0  1.0
  Ru  Ru3  1  0.53  0.53  0.53  1.0

Nb Nb Si Ru
Nb2RuSi crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Nb2RuSi cluster. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a 2-coordinate geometry to one Ru(1) and one Si(1) atom. The Nb(1)-Ru(1) bond length is 1.78 Å. The Nb(1)-Si(1) bond length is 0.78 Å. In the second Nb site, Nb(2) is bonded in a distorted single-bond geometry to one Ru(1) atom. The Nb(2)-Ru(1) bond length is 1.51 Å. Ru(1) is bonded in a distorted L-shaped geometry to one Nb(1) and one Nb(2) atom. Si(1) is bonded in a single-bond geometry to one Nb(1) atom.