data_Li2TiMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.06
_cell_length_b   5.06
_cell_length_c   5.06
_cell_angle_alpha   145.14
_cell_angle_beta   121.55
_cell_angle_gamma   69.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2TiMo
_chemical_formula_sum   'Li2 Ti1 Mo1'
_cell_volume   62.13
_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  0.52  0.0  0.09  1.0
  Li  Li1  1  0.0  0.0  0.01  1.0
  Ti  Ti3  1  0.0  0.0  0.13  1.0
  Mo  Mo2  1  0.0  0.47  0.07  1.0

data_Li2TiMo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.03
_cell_length_b   4.94
_cell_length_c   5.06
_cell_angle_alpha   119.22
_cell_angle_beta   107.43
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2TiMo
_chemical_formula_sum   'Li2 Ti1 Mo1'
_cell_volume   62.13
_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  0.43  0.91  0.43  1.0
  Li  Li1  1  0.99  0.99  0.99  1.0
  Ti  Ti2  1  0.87  0.87  0.87  1.0
  Mo  Mo3  1  0.93  0.4  0.4  1.0

Li Li Ti Mo
Li2TiMo crystallizes in the triclinic P1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to one Li(2), one Ti(1), and four equivalent Mo(1) atoms. The Li(1)-Li(2) bond length is 2.42 Å. The Li(1)-Ti(1) bond length is 2.36 Å. There are a spread of Li(1)-Mo(1) bond distances ranging from 2.86-2.94 Å. In the second Li site, Li(2) is bonded in a distorted single-bond geometry to one Li(1), one Ti(1), and one Mo(1) atom. The Li(2)-Ti(1) bond length is 0.61 Å. The Li(2)-Mo(1) bond length is 2.13 Å. Ti(1) is bonded in a single-bond geometry to one Li(1) and one Li(2) atom. Mo(1) is bonded in a 1-coordinate geometry to one Li(2) and four equivalent Li(1) atoms.