data_[K2Ce2Ga2Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ce  1.1200  1.8500  1.0800
  Ga  1.8100  1.3000  0.7600
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P4_2nm]
_cell_length_a [7.2876]
_cell_length_b [7.2876]
_cell_length_c [13.6688]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [102]
_chemical_formula_structural [KCeGaBr6]
_chemical_formula_sum '[K2 Ce2 Ga2 Br12]'
_cell_volume [725.9295]
_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
[
  K  K0  2  0.0000  0.0000  0.6706  1.0
  Ce  Ce1  2  0.0000  0.0000  0.3341  1.0
  Ga  Ga2  2  0.0000  0.0000  0.0056  1.0
  Br  Br3  4  0.1787  0.8213  0.1755  1.0
  Br  Br4  4  0.1974  0.8026  0.4767  1.0
  Br  Br5  4  0.2274  0.7726  0.8427  1.0
]