data_LiInMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.36
_cell_length_b   5.36
_cell_length_c   5.36
_cell_angle_alpha   143.0
_cell_angle_beta   134.81
_cell_angle_gamma   59.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiInMo2
_chemical_formula_sum   'Li1 In1 Mo2'
_cell_volume   65.17
_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
  In  In0  1  0.0  0.0  0.65  1.0
  Mo  Mo2  1  0.0  0.06  0.37  1.0
  Mo  Mo3  1  0.7  0.0  0.28  1.0

data_LiInMo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.4
_cell_length_b   4.12
_cell_length_c   5.36
_cell_angle_alpha   112.6
_cell_angle_beta   108.5
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiInMo2
_chemical_formula_sum   'Li1 In1 Mo2'
_cell_volume   65.17
_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
  In  In1  1  0.0  0.65  0.65  1.0
  Mo  Mo2  1  0.0  0.28  0.58  1.0
  Mo  Mo3  1  0.94  0.31  0.31  1.0

Li In Mo Mo
Li In Mo Mo 0 2 o o o 0 1 o o - 1 3 - o o 1 2 o o o 2 3 - o o 
LiMo2In crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one LiMo2In cluster. Li(1) is bonded in a distorted linear geometry to one Mo(1) and one In(1) atom. The Li(1)-Mo(1) bond length is 1.73 Å. The Li(1)-In(1) bond length is 1.89 Å. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a distorted single-bond geometry to one Li(1) atom. In the second Mo site, Mo(2) is bonded in a 1-coordinate geometry to one In(1) atom. The Mo(2)-In(1) bond length is 1.42 Å. In(1) is bonded in a 2-coordinate geometry to one Li(1) and one Mo(2) atom.