data_[Li24Ti3S18]
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 [R-3]
_cell_length_a [6.7004]
_cell_length_b [6.7004]
_cell_length_c [18.2809]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Li8TiS6]
_chemical_formula_sum '[Li24 Ti3 S18]'
_cell_volume [710.7679]
_cell_formula_units_Z [3]
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  18  0.0138  0.3614  0.8804  1.0
  Li  Li1  6  0.0000  0.0000  0.3379  1.0
  Ti  Ti2  3  0.0000  0.0000  0.0000  1.0
  S  S3  18  0.0095  0.3123  0.0768  1.0
]