data_[K4Al4Au8]
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
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [8.0087]
_cell_length_b [4.5107]
_cell_length_c [11.2618]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [KAlAu2]
_chemical_formula_sum '[K4 Al4 Au8]'
_cell_volume [406.8318]
_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  0.1296  0.7500  0.1174  1.0
  Al  Al1  4  0.0151  0.2500  0.3880  1.0
  Au  Au2  4  0.1665  0.7500  0.4219  1.0
  Au  Au3  4  0.1779  0.7500  0.7935  1.0
]