data_[K4Ag20Br32]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ag  1.9300  1.6000  1.0867
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [12.0412]
_cell_length_b [12.0412]
_cell_length_c [12.0412]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [216]
_chemical_formula_structural [KAg5Br8]
_chemical_formula_sum '[K4 Ag20 Br32]'
_cell_volume [1745.8561]
_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  0.2500  1.0
  Ag  Ag1  16  0.1262  0.1262  0.6262  1.0
  Ag  Ag2  4  0.0000  0.0000  0.0000  1.0
  Br  Br3  16  0.1062  0.1062  0.3938  1.0
  Br  Br4  16  0.1339  0.1339  0.8661  1.0
]