data_[K4Ce4Br14]
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 [Imm2]
_cell_length_a [4.5375]
_cell_length_b [14.9024]
_cell_length_c [12.5648]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [K2Ce2Br7]
_chemical_formula_sum '[K4 Ce4 Br14]'
_cell_volume [849.6268]
_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  0.0000  0.1553  0.4450  1.0
  Ce  Ce1  2  0.0000  0.0000  0.0368  1.0
  Ce  Ce2  2  0.0000  0.5000  0.2432  1.0
  Br  Br3  4  0.0000  0.1299  0.7042  1.0
  Br  Br4  4  0.0000  0.1364  0.1934  1.0
  Br  Br5  4  0.0000  0.3825  0.4456  1.0
  Br  Br6  2  0.0000  0.5000  0.9974  1.0
]