data_[K4Ce2Ti2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  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 [I-4]
_cell_length_a [7.2914]
_cell_length_b [7.2914]
_cell_length_c [9.3546]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [K2CeTiS4]
_chemical_formula_sum '[K4 Ce2 Ti2 S8]'
_cell_volume [497.3339]
_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
[
  K  K0  2  0.0000  0.0000  0.0000  1
  K  K1  2  0.0000  0.5000  0.2500  1
  Ce  Ce2  2  0.0000  0.5000  0.7500  1
  Ti  Ti3  2  0.0000  0.0000  0.5000  1
  S  S4  8  0.1800  0.2276  0.6117  1
]