data_[K4Ce4Br12]
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 [C2/m]
_cell_length_a [16.0291]
_cell_length_b [4.1613]
_cell_length_c [11.6320]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.8187]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [KCeBr3]
_chemical_formula_sum '[K4 Ce4 Br12]'
_cell_volume [742.6868]
_cell_formula_units_Z [4]
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  0.0522  0.0000  0.3653  1.0
  Ce  Ce1  4  0.2367  0.5000  0.8598  1.0
  Br  Br2  4  0.1106  0.5000  0.6105  1.0
  Br  Br3  4  0.1110  0.0000  0.9102  1.0
  Br  Br4  4  0.1589  0.5000  0.2338  1.0
]