data_[Cs6Ce4Tl2Se12]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.8172]
_cell_length_b [13.4938]
_cell_length_c [8.6767]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.3187]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs3Ce2TlSe6]
_chemical_formula_sum '[Cs6 Ce4 Tl2 Se12]'
_cell_volume [873.7510]
_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
[
  Cs  Cs0  4  0.0000  0.1534  0.5000  1.0
  Cs  Cs1  2  0.0000  0.5000  0.5000  1.0
  Ce  Ce2  4  0.0000  0.3322  0.0000  1.0
  Tl  Tl3  2  0.0000  0.0000  0.0000  1.0
  Se  Se4  8  0.2491  0.3133  0.8092  1.0
  Se  Se5  4  0.1907  0.5000  0.1840  1.0
]