data_[K1Ce1Br6]
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 [P-1]
_cell_length_a [6.4188]
_cell_length_b [6.9562]
_cell_length_c [7.5344]
_cell_angle_alpha [74.9784]
_cell_angle_beta [68.5426]
_cell_angle_gamma [80.5416]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [KCeBr6]
_chemical_formula_sum '[K1 Ce1 Br6]'
_cell_volume [301.4930]
_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
[
  K  K0  1  0.5000  0.5000  0.5000  1.0
  Ce  Ce1  1  0.0000  0.0000  0.0000  1.0
  Br  Br2  2  0.0602  0.7693  0.3395  1.0
  Br  Br3  2  0.1787  0.3410  0.0337  1.0
  Br  Br4  2  0.4290  0.8812  0.7714  1.0
]