data_LiCrMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.27
_cell_length_b   4.27
_cell_length_c   4.27
_cell_angle_alpha   118.72
_cell_angle_beta   118.72
_cell_angle_gamma   92.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCrMo2
_chemical_formula_sum   'Li1 Cr1 Mo2'
_cell_volume   55.96
_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  Li1  1  0.0  0.0  0.0  1.0
  Cr  Cr0  1  0.0  0.17  0.48  1.0
  Mo  Mo2  1  0.17  0.0  0.48  1.0
  Mo  Mo3  1  0.0  0.0  0.96  1.0

data_LiCrMo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.27
_cell_length_b   4.27
_cell_length_c   4.27
_cell_angle_alpha   92.24
_cell_angle_beta   118.72
_cell_angle_gamma   118.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCrMo2
_chemical_formula_sum   'Li1 Cr1 Mo2'
_cell_volume   55.96
_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
  Cr  Cr1  1  0.48  0.0  0.17  1.0
  Mo  Mo2  1  0.48  0.17  0.0  1.0
  Mo  Mo3  1  0.96  0.0  0.0  1.0

Li Cr Mo Mo
LiMo2Cr is Copper structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one LiMo2Cr cluster. Li(1) is bonded in a single-bond geometry to one Mo(1) and one Mo(2) atom. The Li(1)-Mo(1) bond length is 1.81 Å. The Li(1)-Mo(2) bond length is 0.18 Å. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 2-coordinate geometry to one Li(1) and one Cr(1) atom. The Mo(1)-Cr(1) bond length is 1.08 Å. In the second Mo site, Mo(2) is bonded in a single-bond geometry to one Li(1) atom. Cr(1) is bonded in a distorted single-bond geometry to one Mo(1) atom.