data_[Cs4Ce4Tl4]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.7180]
_cell_length_b [5.6564]
_cell_length_c [15.5932]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.2889]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CsCeTl]
_chemical_formula_sum '[Cs4 Ce4 Tl4]'
_cell_volume [504.3279]
_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
[
  Cs  Cs0  4  0.2080  0.5000  0.6605  1
  Ce  Ce1  4  0.1981  0.5000  0.9518  1
  Tl  Tl2  4  0.2026  0.0000  0.8322  1
]