data_LiFeTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.46
_cell_length_b   6.46
_cell_length_c   4.57
_cell_angle_alpha   96.29
_cell_angle_beta   96.29
_cell_angle_gamma   30.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFeTe2
_chemical_formula_sum   'Li1 Fe1 Te2'
_cell_volume   97.32
_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  0.96  0.0  0.98  1.0
  Fe  Fe0  1  0.14  0.0  0.02  1.0
  Te  Te2  1  0.9  0.0  0.68  1.0
  Te  Te3  1  0.39  0.0  0.68  1.0

data_LiFeTe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.44
_cell_length_b   4.57
_cell_length_c   6.46
_cell_angle_alpha   96.29
_cell_angle_beta   105.43
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFeTe2
_chemical_formula_sum   'Li1 Fe1 Te2'
_cell_volume   97.32
_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  0.98  0.96  1.0
  Fe  Fe1  1  0.0  0.02  0.14  1.0
  Te  Te2  1  0.0  0.68  0.39  1.0
  Te  Te3  1  0.0  0.68  0.9  1.0

Li Fe Te Te
Li Fe Te Te 0 2 o o o 0 1 + o + 1 3 o o - 
LiFeTe2 is Indium-like structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one LiFeTe2 cluster. Li(1) is bonded in a water-like geometry to one Fe(1) and one Te(1) atom. The Li(1)-Fe(1) bond length is 1.19 Å. The Li(1)-Te(1) bond length is 1.37 Å. Fe(1) is bonded in a single-bond geometry to one Li(1) and one Te(2) atom. The Fe(1)-Te(2) bond length is 2.34 Å. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a single-bond geometry to one Li(1) atom. In the second Te site, Te(2) is bonded in a 1-coordinate geometry to one Fe(1) atom.