data_LiAlTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.49
_cell_length_b   7.49
_cell_length_c   7.49
_cell_angle_alpha   129.26
_cell_angle_beta   129.26
_cell_angle_gamma   74.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiAlTe2
_chemical_formula_sum   'Li2 Al2 Te4'
_cell_volume   245.83
_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  0.0  0.0  0.0  1.0
  Li  Li1  1  0.0  0.21  0.98  1.0
  Al  Al2  1  0.0  0.0  0.96  1.0
  Al  Al3  1  0.21  0.0  0.98  1.0
  Te  Te4  1  0.61  0.72  0.51  1.0
  Te  Te5  1  0.51  0.61  0.45  1.0
  Te  Te6  1  0.7  0.61  0.49  1.0
  Te  Te7  1  0.61  0.49  0.47  1.0

data_LiAlTe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.42
_cell_length_b   6.42
_cell_length_c   7.49
_cell_angle_alpha   115.37
_cell_angle_beta   115.37
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiAlTe2
_chemical_formula_sum   'Li2 Al2 Te4'
_cell_volume   245.83
_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  0.0  0.0  0.0  1.0
  Li  Li1  1  0.77  0.98  0.77  1.0
  Al  Al2  1  0.96  0.96  0.96  1.0
  Al  Al3  1  0.98  0.77  0.77  1.0
  Te  Te4  1  0.79  0.9  0.18  1.0
  Te  Te5  1  0.85  0.94  0.34  1.0
  Te  Te6  1  0.89  0.79  0.18  1.0
  Te  Te7  1  0.98  0.87  0.38  1.0

Li Li Al Al Te Te Te Te
LiAlTe2 is Copper structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one LiAlTe2 cluster. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a single-bond geometry to one Al(1) atom. The Li(1)-Al(1) bond length is 0.29 Å. In the second Li site, Li(2) is bonded in a distorted single-bond geometry to one Al(1) and one Al(2) atom. The Li(2)-Al(1) bond length is 1.49 Å. The Li(2)-Al(2) bond length is 1.91 Å. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a single-bond geometry to one Li(1), one Li(2), and one Al(2) atom. The Al(1)-Al(2) bond length is 1.49 Å. In the second Al site, Al(2) is bonded in a 2-coordinate geometry to one Li(2), one Al(1), and one Te(4) atom. The Al(2)-Te(4) bond length is 3.27 Å. There are four inequivalent Te sites. In the first Te site, Te(1) is bonded in a 2-coordinate geometry to one Te(2) and one Te(3) atom. The Te(1)-Te(2) bond length is 0.95 Å. The Te(1)-Te(3) bond length is 0.96 Å. In the second Te site, Te(2) is bonded in a distorted water-like geometry to one Te(1) and one Te(4) atom. The Te(2)-Te(4) bond length is 0.99 Å. In the third Te site, Te(3) is bonded in a 2-coordinate geometry to one Te(1) and one Te(4) atom. The Te(3)-Te(4) bond length is 1.15 Å. In the fourth Te site, Te(4) is bonded in a 3-coordinate geometry to one Al(2), one Te(2), and one Te(3) atom.