data_[Cs1Ce1Tl2Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Ce  1.1200  1.8500  1.0800
  Tl  1.6200  1.9000  1.3325
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.7929]
_cell_length_b [9.5539]
_cell_length_c [6.9777]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.6923]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [CsCe(TlCl4)2]
_chemical_formula_sum '[Cs1 Ce1 Tl2 Cl8]'
_cell_volume [452.8108]
_cell_formula_units_Z [1]
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
[
  Cs  Cs0  1  0.0000  0.5000  0.0000  1
  Ce  Ce1  1  0.0000  0.0000  0.0000  1
  Tl  Tl2  2  0.5000  0.2586  0.5000  1
  Cl  Cl3  4  0.2285  0.1971  0.1518  1
  Cl  Cl4  2  0.2320  0.0000  0.6968  1
  Cl  Cl5  2  0.2753  0.5000  0.6005  1
]