data_[Cs2Ce1I3Br3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Ce  1.1200  1.8500  1.0800
  I  2.6600  1.4000  1.2733
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [9.6212]
_cell_length_b [9.6212]
_cell_length_c [4.5689]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [189]
_chemical_formula_structural [Cs2Ce(IBr)3]
_chemical_formula_sum '[Cs2 Ce1 I3 Br3]'
_cell_volume [366.2650]
_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
[
  Cs  Cs0  2  0.3333  0.6667  0.5000  1
  Ce  Ce1  1  0.0000  0.0000  0.0000  1
  I  I2  3  0.0000  0.6501  0.0000  1
  Br  Br3  3  0.0000  0.2116  0.5000  1
]