data_[Cs12H4Au6]
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 [I4/mmm]
_cell_length_a [5.8829]
_cell_length_b [5.8829]
_cell_length_c [29.1414]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Cs6H2Au3]
_chemical_formula_sum '[Cs12 H4 Au6]'
_cell_volume [1008.5535]
_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  0.0000  0.5000  0.0822  1.0
  Cs  Cs1  4  0.0000  0.0000  0.2971  1.0
  H  H2  4  0.0000  0.0000  0.3984  1.0
  Au  Au3  4  0.0000  0.0000  0.1684  1.0
  Au  Au4  2  0.0000  0.0000  0.0000  1.0
]