data_[Ce2Tl2S4Cl2]
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
  S  2.5800  1.0000  0.8800
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.6645]
_cell_length_b [4.1105]
_cell_length_c [9.0224]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.4779]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CeTlS2Cl]
_chemical_formula_sum '[Ce2 Tl2 S4 Cl2]'
_cell_volume [311.1302]
_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  0.1744  0.7500  0.1694  1.0
  Tl  Tl1  2  0.3190  0.2500  0.7671  1.0
  S  S2  2  0.0469  0.7500  0.8522  1.0
  S  S3  2  0.3667  0.2500  0.1381  1.0
  Cl  Cl4  2  0.2419  0.7500  0.4704  1.0
]