data_[Cs2La2Ti2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  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 [P2_1/m]
_cell_length_a [6.9264]
_cell_length_b [6.8781]
_cell_length_c [9.6245]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.8023]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsLaTiS4]
_chemical_formula_sum '[Cs2 La2 Ti2 S8]'
_cell_volume [436.5587]
_cell_formula_units_Z [2]
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
[
  Cs  Cs0  2  0.2770  0.7500  0.0638  1.0
  La  La1  2  0.2254  0.7500  0.5485  1.0
  Ti  Ti2  2  0.2225  0.2500  0.3328  1.0
  S  S3  4  0.0017  0.5026  0.3019  1.0
  S  S4  2  0.4225  0.2500  0.5638  1.0
  S  S5  2  0.4243  0.2500  0.1889  1.0
]