data_[Na4Ce12Se24]
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 [Cmc2_1]
_cell_length_a [11.1927]
_cell_length_b [13.8623]
_cell_length_c [7.2810]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Na(CeSe2)3]
_chemical_formula_sum '[Na4 Ce12 Se24]'
_cell_volume [1129.6960]
_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  0.1732  0.5080  1.0
  Ce  Ce1  8  0.1825  0.1055  0.0189  1.0
  Ce  Ce2  4  0.0000  0.3966  0.1232  1.0
  Se  Se3  8  0.1627  0.4670  0.8250  1.0
  Se  Se4  8  0.1799  0.2705  0.2802  1.0
  Se  Se5  4  0.0000  0.0080  0.2528  1.0
  Se  Se6  4  0.0000  0.2331  0.8825  1.0
]