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 [C2/m]
_cell_length_a [11.5551]
_cell_length_b [6.8930]
_cell_length_c [7.2728]
_cell_angle_alpha [90.0000]
_cell_angle_beta [127.7356]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [KSiAu3]
_chemical_formula_sum '[K4 Si4 Au12]'
_cell_volume [458.1162]
_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  0.0395  0.5000  0.7968  1.0
  Si  Si1  4  0.1388  0.0000  0.1509  1.0
  Au  Au2  8  0.2210  0.2075  0.6744  1.0
  Au  Au3  4  0.0218  0.0000  0.7244  1.0
]