data_NbMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.81
_cell_length_b   2.81
_cell_length_c   9.1
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbMo
_chemical_formula_sum   'Nb2 Mo2'
_cell_volume   67.4
_cell_formula_units_Z   2
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  0.61  0.85  0.35  1.0
  Nb  Nb3  1  0.61  0.15  0.75  1.0
  Mo  Mo0  1  0.61  0.85  0.02  1.0
  Mo  Mo1  1  0.61  0.15  0.08  1.0

data_NbMo
_symmetry_space_group_name_H-M   P-1
_cell_length_a   2.81
_cell_length_b   2.81
_cell_length_c   9.1
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   NbMo
_chemical_formula_sum   'Nb2 Mo2'
_cell_volume   67.4
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.5  0.15  0.7  1.0
  Mo  Mo1  2  0.5  0.15  0.03  1.0

Nb Nb Mo Mo
NbMo crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of one NbMo cluster. Nb(1) is bonded in a distorted single-bond geometry to one Mo(1) atom. The Nb(1)-Mo(1) bond length is 2.60 Å. Mo(1) is bonded in a 1-coordinate geometry to one Nb(1) and one Mo(1) atom. The Mo(1)-Mo(1) bond length is 1.01 Å.