data_[Na4Ce2Sn6Se12]
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
  Sn  1.9600  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.3567]
_cell_length_b [12.7160]
_cell_length_c [7.4941]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.6767]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na2Ce(SnSe2)3]
_chemical_formula_sum '[Na4 Ce2 Sn6 Se12]'
_cell_volume [664.1325]
_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  0.0000  0.3317  0.0000  1.0
  Ce  Ce1  2  0.0000  0.0000  0.0000  1.0
  Sn  Sn2  4  0.0000  0.1639  0.5000  1.0
  Sn  Sn3  2  0.0000  0.5000  0.5000  1.0
  Se  Se4  8  0.2384  0.1560  0.2420  1.0
  Se  Se5  4  0.2307  0.0000  0.7448  1.0
]