data_[K20Au8I8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Au  2.5400  1.3500  1.0700
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [17.6827]
_cell_length_b [9.0149]
_cell_length_c [9.0331]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [K5(AuI)2]
_chemical_formula_sum '[K20 Au8 I8]'
_cell_volume [1439.9460]
_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  16  0.1279  0.1708  0.6695  1
  K  K1  4  0.0000  0.0000  0.0000  1
  Au  Au2  8  0.0000  0.1150  0.3846  1
  I  I3  8  0.2058  0.0000  0.0000  1
]