data_NbSi2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.03
_cell_length_b   5.03
_cell_length_c   5.03
_cell_angle_alpha   137.39
_cell_angle_beta   137.39
_cell_angle_gamma   61.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbSi2Ru
_chemical_formula_sum   'Nb1 Si2 Ru1'
_cell_volume   57.77
_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  0.0  0.32  1.0
  Si  Si2  1  0.0  0.0  0.0  1.0
  Si  Si3  1  0.83  0.0  0.16  1.0
  Ru  Ru1  1  0.0  0.83  0.16  1.0

data_NbSi2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.66
_cell_length_b   3.66
_cell_length_c   5.03
_cell_angle_alpha   111.31
_cell_angle_beta   111.31
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbSi2Ru
_chemical_formula_sum   'Nb1 Si2 Ru1'
_cell_volume   57.77
_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  0.32  0.32  0.32  1.0
  Si  Si1  1  0.0  0.0  0.0  1.0
  Si  Si2  1  0.16  0.33  0.33  1.0
  Ru  Ru3  1  0.33  0.16  0.33  1.0

Nb Si Si Ru
NbRuSi2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one NbRuSi2 cluster. Nb(1) is bonded in an L-shaped geometry to one Ru(1) and one Si(2) atom. The Nb(1)-Ru(1) bond length is 0.61 Å. The Nb(1)-Si(2) bond length is 0.61 Å. Ru(1) is bonded in a single-bond geometry to one Nb(1) and one Si(1) atom. The Ru(1)-Si(1) bond length is 1.55 Å. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 1-coordinate geometry to one Ru(1) atom. In the second Si site, Si(2) is bonded in a single-bond geometry to one Nb(1) atom.