data_[K4Fe4Au4I20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Fe  1.8300  1.4000  0.8525
  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 [11.7104]
_cell_length_b [19.3268]
_cell_length_c [7.9918]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.6363]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [KFeAuI5]
_chemical_formula_sum '[K4 Fe4 Au4 I20]'
_cell_volume [1556.2780]
_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  0.0000  0.4151  0.2500  1.0
  Fe  Fe1  4  0.0000  0.3490  0.7500  1.0
  Au  Au2  4  0.0000  0.0000  0.0000  1.0
  I  I3  8  0.0983  0.2748  0.5915  1.0
  I  I4  8  0.1844  0.4285  0.0064  1.0
  I  I5  4  0.0000  0.0865  0.2500  1.0
]