data_[K12Zn8Au16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Zn  1.6500  1.3500  0.8800
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [11.6213]
_cell_length_b [11.0939]
_cell_length_c [8.5172]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.2422]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [K3(ZnAu2)2]
_chemical_formula_sum '[K12 Zn8 Au16]'
_cell_volume [1030.2666]
_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  8  0.1345  0.1215  0.1427  1.0
  K  K1  4  0.0000  0.3248  0.7500  1.0
  Zn  Zn2  8  0.0941  0.3830  0.4161  1.0
  Au  Au3  8  0.1436  0.4362  0.1378  1.0
  Au  Au4  8  0.1789  0.1802  0.5827  1.0
]