data_NbAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.0
_cell_length_b   5.0
_cell_length_c   5.0
_cell_angle_alpha   145.91
_cell_angle_beta   130.3
_cell_angle_gamma   61.64
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbAu2
_chemical_formula_sum   'Nb1 Au2'
_cell_volume   52.99
_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  Nb2  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.0  0.0  0.71  1.0
  Au  Au1  1  0.0  0.0  0.88  1.0

data_NbAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.93
_cell_length_b   4.2
_cell_length_c   5.0
_cell_angle_alpha   114.85
_cell_angle_beta   107.05
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbAu2
_chemical_formula_sum   'Nb1 Au2'
_cell_volume   52.99
_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  0.0  1.0
  Au  Au1  1  0.12  0.12  0.12  1.0
  Au  Au2  1  0.29  0.29  0.29  1.0

Nb Au Au
NbAu2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one NbAu2 cluster. Nb(1) is bonded in a single-bond geometry to one Au(2) atom. The Nb(1)-Au(2) bond length is 0.59 Å. There are two inequivalent Au sites. In the first Au site, Au(1) is bonded in a distorted single-bond geometry to one Au(2) atom. The Au(1)-Au(2) bond length is 0.85 Å. In the second Au site, Au(2) is bonded in a distorted single-bond geometry to one Nb(1) and one Au(1) atom.