data_LiSn2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.64
_cell_length_b   5.64
_cell_length_c   5.64
_cell_angle_alpha   128.8
_cell_angle_beta   128.8
_cell_angle_gamma   75.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiSn2Te
_chemical_formula_sum   'Li1 Sn2 Te1'
_cell_volume   106.03
_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
  Sn  Sn1  1  0.44  0.0  0.23  1.0
  Sn  Sn2  1  0.0  0.0  0.46  1.0
  Te  Te3  1  0.0  0.44  0.23  1.0

data_LiSn2Te
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.87
_cell_length_b   4.87
_cell_length_c   5.64
_cell_angle_alpha   115.6
_cell_angle_beta   115.6
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiSn2Te
_chemical_formula_sum   'Li1 Sn2 Te1'
_cell_volume   106.03
_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
  Sn  Sn1  1  0.23  0.8  0.8  1.0
  Sn  Sn2  1  0.46  0.46  0.46  1.0
  Te  Te3  1  0.8  0.23  0.8  1.0

Li Sn Sn Te
LiSn2Te crystallizes in the triclinic P1 space group. Li(1) is bonded in a 2-coordinate geometry to one Sn(1), two equivalent Sn(2), and one Te(1) atom. The Li(1)-Sn(1) bond length is 1.93 Å. There is one shorter (2.62 Å) and one longer (3.02 Å) Li(1)-Sn(2) bond length. The Li(1)-Te(1) bond length is 1.93 Å. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a single-bond geometry to one Li(1) and one Sn(2) atom. The Sn(1)-Sn(2) bond length is 2.57 Å. In the second Sn site, Sn(2) is bonded in a 4-coordinate geometry to two equivalent Li(1), one Sn(1), and one Te(1) atom. The Sn(2)-Te(1) bond length is 2.57 Å. Te(1) is bonded in a distorted single-bond geometry to one Li(1) and one Sn(2) atom.