data_[K24Au12]
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
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [25.4566]
_cell_length_b [4.6927]
_cell_length_c [12.8774]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [K2Au]
_chemical_formula_sum '[K24 Au12]'
_cell_volume [1538.3289]
_cell_formula_units_Z [12]
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  0.0131  0.7500  0.3650  1
  K  K1  4  0.0344  0.2500  0.1102  1
  K  K2  4  0.1182  0.7500  0.6693  1
  K  K3  4  0.1585  0.2500  0.3972  1
  K  K4  4  0.1596  0.7500  0.9696  1
  K  K5  4  0.2484  0.2500  0.7150  1
  Au  Au6  4  0.0717  0.2500  0.8466  1
  Au  Au7  4  0.1183  0.7500  0.2181  1
  Au  Au8  4  0.2374  0.7500  0.5127  1
]