data_[K12Na2Au2]
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 [10.3626]
_cell_length_b [12.3344]
_cell_length_c [8.0285]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.5233]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K6NaAu]
_chemical_formula_sum '[K12 Na2 Au2]'
_cell_volume [1005.4988]
_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  8  0.1108  0.3164  0.7884  1.0
  K  K1  4  0.2090  0.0000  0.5982  1.0
  Na  Na2  2  0.0000  0.0000  0.0000  1.0
  Au  Au3  2  0.0000  0.5000  0.5000  1.0
]