data_[Na4Ce2Tl4Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  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 [17.4007]
_cell_length_b [4.4527]
_cell_length_c [7.8949]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.5283]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na2Ce(TlSe2)2]
_chemical_formula_sum '[Na4 Ce2 Tl4 Se8]'
_cell_volume [547.2980]
_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
[
  Na  Na0  4  0.1665  0.5000  0.4107  1.0
  Ce  Ce1  2  0.0000  0.0000  0.0000  1.0
  Tl  Tl2  4  0.1583  0.0000  0.7782  1.0
  Se  Se3  4  0.0159  0.5000  0.7800  1.0
  Se  Se4  4  0.1884  0.0000  0.2007  1.0
]