data_[Ce4Tl8Sn4S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Tl  1.6200  1.9000  1.3325
  Sn  1.9600  1.4500  0.8300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.0831]
_cell_length_b [18.7855]
_cell_length_c [14.1032]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [CeTl2SnS5]
_chemical_formula_sum '[Ce4 Tl8 Sn4 S20]'
_cell_volume [1081.7590]
_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  0.2084  0.0354  1.0
  Tl  Tl1  4  0.0000  0.1228  0.6621  1.0
  Tl  Tl2  4  0.0000  0.1344  0.3318  1.0
  Sn  Sn3  4  0.0000  0.4441  0.4207  1.0
  S  S4  4  0.0000  0.0459  0.0282  1.0
  S  S5  4  0.0000  0.2952  0.6574  1.0
  S  S6  4  0.0000  0.3146  0.3965  1.0
  S  S7  4  0.0000  0.3434  0.0097  1.0
  S  S8  4  0.0000  0.4895  0.7821  1.0
]