data_Li3Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.35
_cell_length_b   5.35
_cell_length_c   5.35
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Te
_chemical_formula_sum   'Li6 Te2'
_cell_volume   153.35
_cell_formula_units_Z   2
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  0.34  0.0  0.68  1.0
  Li  Li1  1  0.01  0.0  0.68  1.0
  Li  Li2  1  0.68  0.34  0.0  1.0
  Li  Li3  1  0.68  0.01  0.0  1.0
  Li  Li4  1  0.0  0.68  0.01  1.0
  Li  Li5  1  0.0  0.68  0.34  1.0
  Te  Te6  1  0.68  0.68  0.68  1.0
  Te  Te7  1  0.0  0.0  0.0  1.0

data_Li3Te
_symmetry_space_group_name_H-M   R3
_cell_length_a   7.57
_cell_length_b   7.57
_cell_length_c   9.27
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   146
_chemical_formula_structural   Li3Te
_chemical_formula_sum   'Li18 Te6'
_cell_volume   460.06
_cell_formula_units_Z   6
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  'x+1/3, y+2/3, z+2/3'
  5  '-y+1/3, x-y+2/3, z+2/3'
  6  '-x+y+1/3, -x+2/3, z+2/3'
  7  'x+2/3, y+1/3, z+1/3'
  8  '-y+2/3, x-y+1/3, z+1/3'
  9  '-x+y+2/3, -x+1/3, z+1/3'
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  9  0.0  0.67  0.67  1.0
  Li  Li1  9  0.1  0.88  0.9  1.0
  Te  Te2  3  0.0  0.0  0.0  1.0
  Te  Te3  3  0.0  0.0  0.68  1.0

Li Li Li Li Li Li Te Te
Li Li Li Li Li Li Te Te 0 1 o o o 0 6 o - o 1 7 o o + 1 6 - - o 2 3 o o o 2 6 o o - 3 7 + o o 3 6 o - - 4 7 o + o 4 5 o o o 4 6 - o - 5 6 - o o 
Li3Te crystallizes in the trigonal R3 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to two equivalent Li(2), one Te(1), and one Te(2) atom. There is one shorter (1.73 Å) and one longer (2.51 Å) Li(1)-Li(2) bond length. The Li(1)-Te(1) bond length is 2.51 Å. The Li(1)-Te(2) bond length is 2.51 Å. In the second Li site, Li(2) is bonded in a distorted single-bond geometry to two equivalent Li(1), one Te(1), and one Te(2) atom. The Li(2)-Te(1) bond length is 2.51 Å. The Li(2)-Te(2) bond length is 1.73 Å. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a distorted hexagonal planar geometry to three equivalent Li(1) and three equivalent Li(2) atoms. In the second Te site, Te(2) is bonded in a 3-coordinate geometry to three equivalent Li(1) and three equivalent Li(2) atoms.