data_[Cs12K18Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  K  0.8200  2.2000  1.5200
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [I4/m]
_cell_length_a [11.0122]
_cell_length_b [11.0122]
_cell_length_c [21.4071]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [87]
_chemical_formula_structural [Cs6K9Au]
_chemical_formula_sum '[Cs12 K18 Au2]'
_cell_volume [2596.0202]
_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
[
  Cs  Cs0  8  0.1159  0.6963  0.0000  1
  Cs  Cs1  4  0.0000  0.0000  0.1665  1
  K  K2  16  0.0849  0.7038  0.3262  1
  K  K3  2  0.0000  0.0000  0.5000  1
  Au  Au4  2  0.0000  0.0000  0.0000  1
]