data_[K6Ag2Au8]
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 [C2/m]
_cell_length_a [9.8018]
_cell_length_b [8.1915]
_cell_length_c [8.1556]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.1144]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K3AgAu4]
_chemical_formula_sum '[K6 Ag2 Au8]'
_cell_volume [554.6301]
_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  4  0.2321  0.5000  0.2902  1
  K  K1  2  0.0000  0.0000  0.0000  1
  Ag  Ag2  2  0.0000  0.5000  0.5000  1
  Au  Au3  8  0.1373  0.3279  0.8382  1
]