data_Nb2MoAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.08
_cell_length_b   5.08
_cell_length_c   5.08
_cell_angle_alpha   132.89
_cell_angle_beta   132.89
_cell_angle_gamma   68.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2MoAu
_chemical_formula_sum   'Nb2 Mo1 Au1'
_cell_volume   69.09
_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  0.03  0.1  1.0
  Nb  Nb3  1  0.0  0.0  0.0  1.0
  Mo  Mo1  1  0.0  0.0  0.19  1.0
  Au  Au0  1  0.03  0.0  0.1  1.0

data_Nb2MoAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.06
_cell_length_b   4.06
_cell_length_c   5.08
_cell_angle_alpha   113.55
_cell_angle_beta   113.55
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2MoAu
_chemical_formula_sum   'Nb2 Mo1 Au1'
_cell_volume   69.09
_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
  Nb  Nb1  1  0.93  0.03  0.93  1.0
  Mo  Mo2  1  0.81  0.0  0.81  1.0
  Au  Au3  1  0.9  0.0  0.93  1.0

Nb Nb Mo Au
Nb2MoAu crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Nb2MoAu cluster. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a single-bond geometry to one Mo(1) and one Au(1) atom. The Nb(1)-Mo(1) bond length is 0.60 Å. The Nb(1)-Au(1) bond length is 0.17 Å. In the second Nb site, Nb(2) is bonded in a distorted single-bond geometry to one Au(1) atom. The Nb(2)-Au(1) bond length is 0.40 Å. Mo(1) is bonded in a 2-coordinate geometry to one Nb(1) and one Au(1) atom. The Mo(1)-Au(1) bond length is 0.60 Å. Au(1) is bonded in a single-bond geometry to one Nb(1), one Nb(2), and one Mo(1) atom.