data_[Li1Ti5Te10]
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 [P-1]
_cell_length_a [6.5699]
_cell_length_b [8.0364]
_cell_length_c [9.6547]
_cell_angle_alpha [111.5563]
_cell_angle_beta [109.7159]
_cell_angle_gamma [90.1912]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Li(TiTe2)5]
_chemical_formula_sum '[Li1 Ti5 Te10]'
_cell_volume [441.5645]
_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  0.0000  0.5000  0.0000  1.0
  Ti  Ti1  2  0.0967  0.2037  0.2020  1.0
  Ti  Ti2  2  0.3055  0.6009  0.6001  1.0
  Ti  Ti3  1  0.5000  0.0000  0.0000  1.0
  Te  Te4  2  0.0167  0.4494  0.6926  1.0
  Te  Te5  2  0.1861  0.9453  0.7027  1.0
  Te  Te6  2  0.2174  0.8593  0.1011  1.0
  Te  Te7  2  0.3878  0.3458  0.1021  1.0
  Te  Te8  2  0.4132  0.2529  0.4972  1.0
]