data_[Ce2Ti2S4O2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Ti  1.5400  1.4000  0.8517
  S  2.5800  1.0000  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [3.6922]
_cell_length_b [3.6922]
_cell_length_c [12.7115]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [129]
_chemical_formula_structural [CeTiS2O]
_chemical_formula_sum '[Ce2 Ti2 S4 O2]'
_cell_volume [173.2907]
_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
[
  Ce  Ce0  2  0.0000  0.5000  0.3926  1
  Ti  Ti1  2  0.0000  0.5000  0.9109  1
  S  S2  2  0.0000  0.5000  0.1028  1
  S  S3  2  0.0000  0.5000  0.7151  1
  O  O4  2  0.0000  0.0000  0.5000  1
]