data_[K1Na6Au1]
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 [P-1]
_cell_length_a [5.5864]
_cell_length_b [7.2499]
_cell_length_c [7.9013]
_cell_angle_alpha [103.2239]
_cell_angle_beta [109.1201]
_cell_angle_gamma [91.1271]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [KNa6Au]
_chemical_formula_sum '[K1 Na6 Au1]'
_cell_volume [292.7803]
_cell_formula_units_Z [1]
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  1  0.5000  0.5000  0.0000  1.0
  Na  Na1  2  0.1594  0.8182  0.3157  1.0
  Na  Na2  2  0.1854  0.3339  0.3720  1.0
  Na  Na3  2  0.3945  0.9390  0.7874  1.0
  Au  Au4  1  0.0000  0.0000  0.0000  1.0
]