data_[Na6Ce2Br12]
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 [P2_1/c]
_cell_length_a [7.4128]
_cell_length_b [7.8270]
_cell_length_c [13.2315]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.9136]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Na3CeBr6]
_chemical_formula_sum '[Na6 Ce2 Br12]'
_cell_volume [644.4641]
_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  0.2928  0.0758  0.7697  1
  Na  Na1  2  0.5000  0.0000  0.5000  1
  Ce  Ce2  2  0.0000  0.0000  0.0000  1
  Br  Br3  4  0.0971  0.0762  0.2422  1
  Br  Br4  4  0.2611  0.6890  0.0880  1
  Br  Br5  4  0.3891  0.1802  0.0625  1
]