data_[Ce4Ti8S16]
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
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.7495]
_cell_length_b [11.7234]
_cell_length_c [12.1508]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Ce(TiS2)2]
_chemical_formula_sum '[Ce4 Ti8 S16]'
_cell_volume [534.1142]
_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
[
  Ce  Ce0  4  0.0000  0.3809  0.2500  1.0
  Ti  Ti1  8  0.0000  0.1170  0.0570  1.0
  S  S2  8  0.0000  0.2358  0.6111  1.0
  S  S3  4  0.0000  0.0594  0.2500  1.0
  S  S4  4  0.0000  0.5000  0.0000  1.0
]