data_[Na6Ce4Cd2Se12]
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
  Cd  1.6900  1.5500  1.0900
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.2767]
_cell_length_b [12.5920]
_cell_length_c [7.4128]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.0519]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na3Ce2CdSe6]
_chemical_formula_sum '[Na6 Ce4 Cd2 Se12]'
_cell_volume [642.0147]
_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  0.1641  0.5000  1.0
  Na  Na1  2  0.0000  0.5000  0.5000  1.0
  Ce  Ce2  4  0.0000  0.3330  0.0000  1.0
  Cd  Cd3  2  0.0000  0.0000  0.0000  1.0
  Se  Se4  8  0.2448  0.1670  0.2331  1.0
  Se  Se5  4  0.2433  0.5000  0.2329  1.0
]