data_[K4Au4I16]
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 [C2/c]
_cell_length_a [14.3060]
_cell_length_b [7.4211]
_cell_length_c [11.8293]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.7492]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [KAuI4]
_chemical_formula_sum '[K4 Au4 I16]'
_cell_volume [1255.7702]
_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  0.5000  1.0
  Au  Au1  4  0.0000  0.0448  0.7500  1.0
  I  I2  8  0.0064  0.3522  0.5769  1.0
  I  I3  8  0.1795  0.0030  0.2451  1.0
]