data_[K6Ag45Au6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ag  1.9300  1.6000  1.0867
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [9.8955]
_cell_length_b [9.8955]
_cell_length_c [14.1644]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [K2Ag15Au2]
_chemical_formula_sum '[K6 Ag45 Au6]'
_cell_volume [1201.1716]
_cell_formula_units_Z [3]
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  6  0.0000  0.0000  0.3430  1.0
  Ag  Ag1  18  0.0000  0.2966  0.0000  1.0
  Ag  Ag2  18  0.0045  0.5023  0.8466  1.0
  Ag  Ag3  9  0.0000  0.5000  0.5000  1.0
  Au  Au4  6  0.0000  0.0000  0.1001  1.0
]