data_LiNbMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.3
_cell_length_b   4.32
_cell_length_c   4.37
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiNbMo2
_chemical_formula_sum   'Li1 Nb1 Mo2'
_cell_volume   62.36
_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
  Li  Li0  1  0.0  0.0  0.0  1.0
  Nb  Nb3  1  0.65  0.16  0.0  1.0
  Mo  Mo1  1  0.0  0.16  0.19  1.0
  Mo  Mo2  1  0.65  0.0  0.19  1.0

data_LiNbMo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.3
_cell_length_b   4.32
_cell_length_c   4.37
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiNbMo2
_chemical_formula_sum   'Li1 Nb1 Mo2'
_cell_volume   62.36
_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
  Li  Li0  1  0.0  0.0  0.0  1.0
  Nb  Nb1  1  0.65  0.16  -0.0  1.0
  Mo  Mo2  1  0.0  0.16  0.19  1.0
  Mo  Mo3  1  0.65  0.0  0.19  1.0

Li Nb Mo Mo
LiMoNbMo crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one LiMo cluster and one NbMo cluster. In the LiMo cluster, Li(1) is bonded in a distorted single-bond geometry to one Mo(1) atom. The Li(1)-Mo(1) bond length is 1.07 Å. Mo(1) is bonded in a single-bond geometry to one Li(1) atom. In the NbMo cluster, Nb(1) is bonded in a distorted single-bond geometry to one Mo(2) atom. The Nb(1)-Mo(2) bond length is 1.07 Å. Mo(2) is bonded in a distorted single-bond geometry to one Nb(1) atom.