data_[K6Ce2Br12]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.9612]
_cell_length_b [8.5414]
_cell_length_c [13.8545]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.5891]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [K3CeBr6]
_chemical_formula_sum '[K6 Ce2 Br12]'
_cell_volume [784.7990]
_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  4  0.2898  0.5797  0.2585  1.0
  K  K1  2  0.5000  0.0000  0.5000  1.0
  Ce  Ce2  2  0.0000  0.0000  0.0000  1.0
  Br  Br3  4  0.0954  0.5619  0.7336  1.0
  Br  Br4  4  0.2491  0.2151  0.5802  1.0
  Br  Br5  4  0.3571  0.6796  0.5604  1.0
]