data_[Ce8Ti4Co4S20]
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
  Co  1.8800  1.3500  0.7683
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.7075]
_cell_length_b [15.9234]
_cell_length_c [11.3831]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ce2TiCoS5]
_chemical_formula_sum '[Ce8 Ti4 Co4 S20]'
_cell_volume [672.0180]
_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  0.1129  0.3395  1
  Ce  Ce1  4  0.0000  0.1273  0.7009  1
  Ti  Ti2  4  0.0000  0.1751  0.0171  1
  Co  Co3  4  0.0000  0.4354  0.4267  1
  S  S4  4  0.0000  0.0253  0.0211  1
  S  S5  4  0.0000  0.3049  0.3719  1
  S  S6  4  0.0000  0.3088  0.6720  1
  S  S7  4  0.0000  0.3379  0.0187  1
  S  S8  4  0.0000  0.4970  0.2561  1
]