data_[K4Zn12Au8]
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/m]
_cell_length_a [16.2506]
_cell_length_b [4.4917]
_cell_length_c [8.1027]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.8748]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [KZn3Au2]
_chemical_formula_sum '[K4 Zn12 Au8]'
_cell_volume [540.8363]
_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  0.1603  0.0000  0.0875  1.0
  Zn  Zn1  4  0.0011  0.0000  0.3356  1.0
  Zn  Zn2  4  0.0930  0.5000  0.6555  1.0
  Zn  Zn3  4  0.1886  0.5000  0.4487  1.0
  Au  Au4  4  0.0189  0.5000  0.1820  1.0
  Au  Au5  4  0.1652  0.0000  0.6133  1.0
]