data_[K12Na4Au12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Na  0.9300  1.8000  1.1600
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.3171]
_cell_length_b [4.8549]
_cell_length_c [16.4556]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.3709]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K3NaAu3]
_chemical_formula_sum '[K12 Na4 Au12]'
_cell_volume [916.3696]
_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  0.0132  0.5000  0.3721  1
  K  K1  4  0.1057  0.5000  0.9272  1
  K  K2  4  0.2434  0.5000  0.2211  1
  Na  Na3  4  0.2295  0.0000  0.4103  1
  Au  Au4  4  0.0417  0.0000  0.2297  1
  Au  Au5  4  0.1046  0.0000  0.0772  1
  Au  Au6  4  0.1204  0.0000  0.5481  1
]