data_[Cs16K2Au4]
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 [12.1780]
_cell_length_b [18.0206]
_cell_length_c [7.7349]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.6044]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs8KAu2]
_chemical_formula_sum '[Cs16 K2 Au4]'
_cell_volume [1668.4572]
_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  0.1961  0.1429  0.0803  1.0
  Cs  Cs1  4  0.0000  0.2658  0.5000  1.0
  Cs  Cs2  4  0.1023  0.5000  0.2645  1.0
  K  K3  2  0.0000  0.0000  0.5000  1.0
  Au  Au4  4  0.0000  0.3184  0.0000  1.0
]