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 [C2/m]
_cell_length_a [12.3102]
_cell_length_b [6.8384]
_cell_length_c [5.3630]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.1540]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [KAlAu3]
_chemical_formula_sum '[K4 Al4 Au12]'
_cell_volume [451.1492]
_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  0.1399  0.0000  0.5011  1
  Al  Al1  4  0.1093  0.5000  0.1778  1
  Au  Au2  4  0.0000  0.1991  0.0000  1
  Au  Au3  4  0.1015  0.5000  0.6553  1
  Au  Au4  4  0.2500  0.2500  0.0000  1
]