data_[Cs16Au6Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Au  2.5400  1.3500  1.0700
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.4459]
_cell_length_b [14.4721]
_cell_length_c [10.1684]
_cell_angle_alpha [90.0000]
_cell_angle_beta [134.5509]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs8Au3Cl4]
_chemical_formula_sum '[Cs16 Au6 Cl8]'
_cell_volume [1514.9268]
_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  4  0.0000  0.2437  0.0000  1.0
  Cs  Cs1  4  0.0000  0.2478  0.5000  1.0
  Cs  Cs2  4  0.2357  0.0000  0.4837  1.0
  Cs  Cs3  4  0.2412  0.0000  0.9913  1.0
  Au  Au4  4  0.2500  0.2500  0.5000  1.0
  Au  Au5  2  0.0000  0.5000  0.5000  1.0
  Cl  Cl6  4  0.2500  0.2500  0.0000  1.0
  Cl  Cl7  2  0.0000  0.0000  0.0000  1.0
  Cl  Cl8  2  0.0000  0.0000  0.5000  1.0
]