data_Li2TiW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.57
_cell_length_b   2.57
_cell_length_c   9.88
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2TiW
_chemical_formula_sum   'Li2 Ti1 W1'
_cell_volume   65.39
_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  0.29  0.29  0.29  1.0
  Li  Li1  1  0.29  0.29  0.59  1.0
  Ti  Ti2  1  0.0  0.0  0.0  1.0
  W  W3  1  0.0  0.0  0.94  1.0

data_Li2TiW
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.64
_cell_length_b   3.64
_cell_length_c   9.88
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Li2TiW
_chemical_formula_sum   'Li4 Ti2 W2'
_cell_volume   130.78
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.29  0.0  0.29  1.0
  Li  Li1  2  0.29  0.0  0.59  1.0
  Ti  Ti2  2  0.0  0.0  0.0  1.0
  W  W3  2  0.0  0.0  0.94  1.0

Li Li Ti W
Li2TiW crystallizes in the monoclinic Cm space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 8-coordinate geometry to one Li(2), four equivalent Li(1), and three equivalent Ti(1) atoms. The Li(1)-Li(2) bond length is 2.93 Å. All Li(1)-Li(1) bond lengths are 2.57 Å. There is one shorter (3.08 Å) and two longer (3.51 Å) Li(1)-Ti(1) bond lengths. In the second Li site, Li(2) is bonded to one Li(1), four equivalent Li(2), and one W(1) atom to form a mixture of distorted corner and edge-sharing LiLi5W octahedra. The corner-sharing octahedra are not tilted. All Li(2)-Li(2) bond lengths are 2.57 Å. The Li(2)-W(1) bond length is 3.63 Å. Ti(1) is bonded in a single-bond geometry to three equivalent Li(1) and one W(1) atom. The Ti(1)-W(1) bond length is 0.58 Å. W(1) is bonded in a single-bond geometry to one Li(2) and one Ti(1) atom.