data_[K12Ga20Au8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ga  1.8100  1.3000  0.7600
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [11.3314]
_cell_length_b [13.7264]
_cell_length_c [6.6240]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [K3Ga5Au2]
_chemical_formula_sum '[K12 Ga20 Au8]'
_cell_volume [1030.3004]
_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  0.2434  0.3804  0.5000  1.0
  K  K1  4  0.0000  0.0000  0.2500  1.0
  Ga  Ga2  8  0.0000  0.2590  0.2500  1.0
  Ga  Ga3  8  0.1263  0.3804  0.0000  1.0
  Ga  Ga4  4  0.0000  0.5000  0.2500  1.0
  Au  Au5  8  0.1499  0.1615  0.5000  1.0
]