data_[K4Al4Au12]
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 [P2_1/c]
_cell_length_a [8.7996]
_cell_length_b [6.6934]
_cell_length_c [8.7626]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.0294]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [KAlAu3]
_chemical_formula_sum '[K4 Al4 Au12]'
_cell_volume [496.0421]
_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  0.3691  0.0875  0.7967  1.0
  Al  Al1  4  0.0832  0.7430  0.8815  1.0
  Au  Au2  4  0.0632  0.1455  0.4040  1.0
  Au  Au3  4  0.1527  0.5110  0.6212  1.0
  Au  Au4  4  0.3595  0.5865  0.9266  1.0
]