data_[Na4Ce4Br14]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [4.2275]
_cell_length_b [15.9975]
_cell_length_c [9.2852]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [Na2Ce2Br7]
_chemical_formula_sum '[Na4 Ce4 Br14]'
_cell_volume [627.9579]
_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  0.2321  0.5827  1.0
  Ce  Ce1  2  0.0000  0.0000  0.8488  1.0
  Ce  Ce2  2  0.0000  0.5000  0.7787  1.0
  Br  Br3  4  0.0000  0.1057  0.1107  1.0
  Br  Br4  4  0.0000  0.3177  0.8852  1.0
  Br  Br5  4  0.0000  0.3764  0.2808  1.0
  Br  Br6  2  0.0000  0.0000  0.5075  1.0
]