data_[Li12Ti4S12]
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 [7.6608]
_cell_length_b [11.6264]
_cell_length_c [5.9152]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.5527]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Li3TiS3]
_chemical_formula_sum '[Li12 Ti4 S12]'
_cell_volume [453.7072]
_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  0.1739  0.2724  0.7008  1.0
  Li  Li1  4  0.0000  0.4618  0.2500  1.0
  Ti  Ti2  4  0.0000  0.0000  0.0000  1.0
  S  S3  8  0.2341  0.4067  0.0753  1.0
  S  S4  4  0.0000  0.1765  0.2500  1.0
]