data_[K2Na16Au4]
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 [9.3954]
_cell_length_b [13.9257]
_cell_length_c [6.0035]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.3724]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K(Na4Au)2]
_chemical_formula_sum '[K2 Na16 Au4]'
_cell_volume [767.2456]
_cell_formula_units_Z [2]
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  2  0.0000  0.0000  0.5000  1.0
  Na  Na1  8  0.2025  0.1403  0.0810  1.0
  Na  Na2  4  0.0000  0.2723  0.5000  1.0
  Na  Na3  4  0.0809  0.5000  0.2682  1.0
  Au  Au4  4  0.0000  0.3129  0.0000  1.0
]