data_[K12Ag4Au4]
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 [17.7690]
_cell_length_b [4.9912]
_cell_length_c [9.3171]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.5504]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K3AgAu]
_chemical_formula_sum '[K12 Ag4 Au4]'
_cell_volume [826.2894]
_cell_formula_units_Z [4]
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  0.0600  0.0000  0.1918  1.0
  K  K1  4  0.1065  0.5000  0.5672  1.0
  K  K2  4  0.2360  0.0000  0.8082  1.0
  Ag  Ag3  4  0.0772  0.5000  0.9404  1.0
  Au  Au4  4  0.2116  0.0000  0.4359  1.0
]