data_[Li4La8Ti4S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  La  1.1000  1.9500  1.1720
  Ti  1.5400  1.4000  0.8517
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.9314]
_cell_length_b [16.4159]
_cell_length_c [11.5488]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [LiLa2TiS5]
_chemical_formula_sum '[Li4 La8 Ti4 S20]'
_cell_volume [745.3352]
_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  4  0.0000  0.4459  0.4540  1.0
  La  La1  4  0.0000  0.1140  0.6939  1.0
  La  La2  4  0.0000  0.1321  0.3053  1.0
  Ti  Ti3  4  0.0000  0.1951  0.0144  1.0
  S  S4  4  0.0000  0.0573  0.0544  1.0
  S  S5  4  0.0000  0.2877  0.6568  1.0
  S  S6  4  0.0000  0.3083  0.3677  1.0
  S  S7  4  0.0000  0.3509  0.0041  1.0
  S  S8  4  0.0000  0.4962  0.7733  1.0
]