data_[Li8Ti8S20]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.5893]
_cell_length_b [6.2233]
_cell_length_c [11.9458]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.1629]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Li2Ti2S5]
_chemical_formula_sum '[Li8 Ti8 S20]'
_cell_volume [712.5213]
_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  0.1928  0.3697  0.8236  1.0
  Ti  Ti1  8  0.0878  0.1610  0.4422  1.0
  S  S2  8  0.0846  0.1030  0.6382  1.0
  S  S3  8  0.2140  0.4992  0.5393  1.0
  S  S4  4  0.0000  0.3574  0.2500  1.0
]