data_[Li8Ti4Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ti  1.5400  1.4000  0.8517
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.2739]
_cell_length_b [5.9136]
_cell_length_c [7.9030]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.2547]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Li2TiTe3]
_chemical_formula_sum '[Li8 Ti4 Te12]'
_cell_volume [592.4336]
_cell_formula_units_Z [4]
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  8  0.1655  0.4973  0.5822  1.0
  Ti  Ti1  4  0.0000  0.0737  0.7500  1.0
  Te  Te2  8  0.1527  0.0014  0.0764  1.0
  Te  Te3  4  0.0000  0.4874  0.2500  1.0
]