data_[K2Al4Ga4Au12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Al  1.6100  1.2500  0.6750
  Ga  1.8100  1.3000  0.7600
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.5210]
_cell_length_b [6.7425]
_cell_length_c [6.8920]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.5111]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [KAl2(GaAu3)2]
_chemical_formula_sum '[K2 Al4 Ga4 Au12]'
_cell_volume [533.7182]
_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  2  0.0000  0.5000  0.5000  1.0
  Al  Al1  4  0.1391  0.0000  0.5485  1.0
  Ga  Ga2  4  0.1963  0.0000  0.9596  1.0
  Au  Au3  8  0.2410  0.2213  0.2829  1.0
  Au  Au4  4  0.0189  0.0000  0.2105  1.0
]