data_[Cs18H3Au6Cl3]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [8.7599]
_cell_length_b [8.7599]
_cell_length_c [24.7434]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Cs6HAu2Cl]
_chemical_formula_sum '[Cs18 H3 Au6 Cl3]'
_cell_volume [1644.3350]
_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  9  0.0035  0.3767  0.4175  1.0
  Cs  Cs1  9  0.0504  0.6992  0.2556  1.0
  H  H2  3  0.0000  0.0000  0.6721  1.0
  Au  Au3  3  0.0000  0.0000  0.4857  1.0
  Au  Au4  3  0.0000  0.0000  0.9867  1.0
  Cl  Cl5  3  0.0000  0.0000  0.1744  1.0
]