data_[Cs12K4Au4]
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 [C2/m]
_cell_length_a [27.3729]
_cell_length_b [5.4071]
_cell_length_c [10.5824]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.8911]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs3KAu]
_chemical_formula_sum '[Cs12 K4 Au4]'
_cell_volume [1547.4692]
_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
[
  Cs  Cs0  4  0.0462  0.0000  0.7401  1.0
  Cs  Cs1  4  0.1643  0.0000  0.3963  1.0
  Cs  Cs2  4  0.2065  0.5000  0.8521  1.0
  K  K3  4  0.0846  0.5000  0.0918  1.0
  Au  Au4  4  0.1528  0.0000  0.0289  1.0
]