data_[Cs9H24Au6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  H  2.2000  0.2500  0.0000
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [6.3984]
_cell_length_b [6.3984]
_cell_length_c [22.0195]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Cs3(H4Au)2]
_chemical_formula_sum '[Cs9 H24 Au6]'
_cell_volume [780.6983]
_cell_formula_units_Z [3]
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  6  0.0000  0.0000  0.2238  1
  Cs  Cs1  3  0.0000  0.0000  0.0000  1
  H  H2  18  0.0218  0.5109  0.2243  1
  H  H3  6  0.0000  0.0000  0.3630  1
  Au  Au4  6  0.0000  0.0000  0.4388  1
]