data_[Na6Ce4Sm2Se12]
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
  Sm  1.1700  1.8500  1.2290
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.4349]
_cell_length_b [12.8702]
_cell_length_c [7.4301]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5652]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na3Ce2SmSe6]
_chemical_formula_sum '[Na6 Ce4 Sm2 Se12]'
_cell_volume [669.9261]
_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  0.1663  0.5000  1.0
  Na  Na1  2  0.0000  0.5000  0.5000  1.0
  Ce  Ce2  4  0.0000  0.3333  0.0000  1.0
  Sm  Sm3  2  0.0000  0.0000  0.0000  1.0
  Se  Se4  8  0.2435  0.1651  0.2351  1.0
  Se  Se5  4  0.2479  0.5000  0.2345  1.0
]