data_[Na8Ce4Se12]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.4521]
_cell_length_b [12.9063]
_cell_length_c [7.4017]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.7788]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na2CeSe3]
_chemical_formula_sum '[Na8 Ce4 Se12]'
_cell_volume [669.8968]
_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
[
  Na  Na0  4  0.0000  0.1604  0.0000  1.0
  Na  Na1  2  0.0000  0.0000  0.5000  1.0
  Na  Na2  2  0.0000  0.5000  0.0000  1.0
  Ce  Ce3  4  0.0000  0.3328  0.5000  1.0
  Se  Se4  8  0.2452  0.3229  0.2693  1.0
  Se  Se5  4  0.2245  0.5000  0.7329  1.0
]