data_Li2TiSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.02
_cell_length_b   4.92
_cell_length_c   5.02
_cell_angle_alpha   90.0
_cell_angle_beta   93.88
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2TiSn
_chemical_formula_sum   'Li2 Ti1 Sn1'
_cell_volume   74.41
_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  0.01  0.46  0.22  1.0
  Li  Li1  1  0.67  0.46  0.79  1.0
  Ti  Ti3  1  0.0  0.0  0.0  1.0
  Sn  Sn2  1  0.34  0.0  0.51  1.0

data_Li2TiSn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.02
_cell_length_b   4.92
_cell_length_c   5.02
_cell_angle_alpha   90.0
_cell_angle_beta   93.88
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2TiSn
_chemical_formula_sum   'Li2 Ti1 Sn1'
_cell_volume   74.41
_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  0.01  0.46  0.22  1.0
  Li  Li1  1  0.67  0.46  0.79  1.0
  Ti  Ti2  1  0.0  0.0  0.0  1.0
  Sn  Sn3  1  0.34  0.0  0.51  1.0

Li Li Ti Sn
Li2TiSn crystallizes in the triclinic P1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 5-coordinate geometry to one Li(2), two equivalent Ti(1), and two equivalent Sn(1) atoms. The Li(1)-Li(2) bond length is 2.31 Å. There is one shorter (2.51 Å) and one longer (2.88 Å) Li(1)-Ti(1) bond length. There is one shorter (2.82 Å) and one longer (3.16 Å) Li(1)-Sn(1) bond length. In the second Li site, Li(2) is bonded in a 5-coordinate geometry to one Li(1), two equivalent Ti(1), and two equivalent Sn(1) atoms. There is one shorter (2.65 Å) and one longer (3.00 Å) Li(2)-Ti(1) bond length. There is one shorter (2.82 Å) and one longer (3.16 Å) Li(2)-Sn(1) bond length. Ti(1) is bonded in a 6-coordinate geometry to two equivalent Li(1), two equivalent Li(2), and two equivalent Sn(1) atoms. There is one shorter (2.68 Å) and one longer (2.75 Å) Ti(1)-Sn(1) bond length. Sn(1) is bonded in a 6-coordinate geometry to two equivalent Li(1), two equivalent Li(2), and two equivalent Ti(1) atoms.