data_NbMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.77
_cell_length_b   4.77
_cell_length_c   2.59
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbMo2
_chemical_formula_sum   'Nb1 Mo2'
_cell_volume   50.93
_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
  Mo  Mo0  1  0.0  0.75  0.29  1.0
  Mo  Mo1  1  0.38  0.38  0.29  1.0

data_NbMo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.59
_cell_length_b   4.77
_cell_length_c   4.77
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbMo2
_chemical_formula_sum   'Nb1 Mo2'
_cell_volume   50.93
_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
  Mo  Mo1  1  0.29  -0.0  0.75  1.0
  Mo  Mo2  1  0.29  0.38  0.38  1.0

Nb Mo Mo
Nb Mo Mo 0 1 o - o 0 2 o o o 
NbMo2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one NbMo2 cluster. Nb(1) is bonded in a 1-coordinate geometry to one Mo(1) and one Mo(2) atom. The Nb(1)-Mo(1) bond length is 1.41 Å. The Nb(1)-Mo(2) bond length is 1.96 Å. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a distorted single-bond geometry to one Nb(1) atom. In the second Mo site, Mo(2) is bonded in a distorted single-bond geometry to one Nb(1) atom.