data_[Na4Li2Ce2Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Li  0.9800  1.4500  0.9000
  Ce  1.1200  1.8500  1.0800
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.2041]
_cell_length_b [7.6506]
_cell_length_c [12.8708]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.8396]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Na2LiCeBr6]
_chemical_formula_sum '[Na4 Li2 Ce2 Br12]'
_cell_volume [602.6386]
_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  0.1998  0.5867  0.7375  1.0
  Li  Li1  2  0.0000  0.0000  0.5000  1.0
  Ce  Ce2  2  0.5000  0.0000  0.0000  1.0
  Br  Br3  4  0.1054  0.6972  0.4310  1.0
  Br  Br4  4  0.2320  0.1829  0.4239  1.0
  Br  Br5  4  0.3941  0.5561  0.2493  1.0
]