data_[K4Si4Au12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Si  1.9000  1.1000  0.5400
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [5.6465]
_cell_length_b [5.6465]
_cell_length_c [16.4357]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [119]
_chemical_formula_structural [KSiAu3]
_chemical_formula_sum '[K4 Si4 Au12]'
_cell_volume [524.0153]
_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  0.5000  0.6122  1
  Si  Si1  2  0.0000  0.0000  0.0000  1
  Si  Si2  2  0.0000  0.5000  0.2500  1
  Au  Au3  8  0.0000  0.2658  0.1130  1
  Au  Au4  4  0.0000  0.0000  0.2616  1
]