data_LiBTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.31
_cell_length_b   3.31
_cell_length_c   7.53
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiBTe2
_chemical_formula_sum   'Li1 B1 Te2'
_cell_volume   82.43
_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  Li1  1  0.0  0.0  0.0  1.0
  B  B0  1  0.0  0.0  0.77  1.0
  Te  Te2  1  0.65  0.65  0.08  1.0
  Te  Te3  1  0.65  0.65  0.46  1.0

data_LiBTe2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.68
_cell_length_b   4.68
_cell_length_c   7.53
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LiBTe2
_chemical_formula_sum   'Li2 B2 Te4'
_cell_volume   164.87
_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  0.0  0.0  0.0  1.0
  B  B1  2  0.0  0.0  0.77  1.0
  Te  Te2  2  0.15  0.5  0.08  1.0
  Te  Te3  2  0.15  0.5  0.46  1.0

Li B Te Te
LiBTe2 crystallizes in the monoclinic Cm space group. Li(1) is bonded in a 2-coordinate geometry to one B(1) and one Te(1) atom. The Li(1)-B(1) bond length is 1.76 Å. The Li(1)-Te(1) bond length is 1.72 Å. B(1) is bonded in a single-bond geometry to one Li(1) and one Te(2) atom. The B(1)-Te(2) bond length is 2.84 Å. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a 1-coordinate geometry to one Li(1) and one Te(2) atom. The Te(1)-Te(2) bond length is 2.88 Å. In the second Te site, Te(2) is bonded to one B(1), one Te(1), and four equivalent Te(2) atoms to form a mixture of distorted corner and edge-sharing TeBTe5 octahedra. The corner-sharing octahedra are not tilted. All Te(2)-Te(2) bond lengths are 3.31 Å.