data_[K4Pb16Br32]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Pb  2.3300  1.8000  1.1225
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [13.1851]
_cell_length_b [13.1851]
_cell_length_c [13.1851]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [216]
_chemical_formula_structural [K(PbBr2)4]
_chemical_formula_sum '[K4 Pb16 Br32]'
_cell_volume [2292.1787]
_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  0.2500  0.2500  0.7500  1.0
  Pb  Pb1  16  0.1281  0.1281  0.3719  1.0
  Br  Br2  16  0.1099  0.1099  0.6099  1.0
  Br  Br3  16  0.1383  0.1383  0.1383  1.0
]