data_[Na2Ce1Al1Cl8]
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
  Al  1.6100  1.2500  0.6750
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.3182]
_cell_length_b [8.0010]
_cell_length_c [6.4681]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.2883]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Na2CeAlCl8]
_chemical_formula_sum '[Na2 Ce1 Al1 Cl8]'
_cell_volume [326.4341]
_cell_formula_units_Z [1]
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  2  0.5000  0.2327  0.5000  1.0
  Ce  Ce1  1  0.0000  0.5000  0.0000  1.0
  Al  Al2  1  0.0000  0.0000  0.0000  1.0
  Cl  Cl3  4  0.2054  0.2149  0.8472  1.0
  Cl  Cl4  2  0.2317  0.0000  0.2875  1.0
  Cl  Cl5  2  0.2731  0.5000  0.3361  1.0
]