data_[Cs18H3Au3Cl6]
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 [8.6144]
_cell_length_b [8.6144]
_cell_length_c [25.1062]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Cs6HAuCl2]
_chemical_formula_sum '[Cs18 H3 Au3 Cl6]'
_cell_volume [1613.4934]
_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  0.0041  0.3286  0.7479  1.0
  Cs  Cs1  9  0.0128  0.7018  0.5872  1.0
  H  H2  3  0.0000  0.0000  0.6672  1.0
  Au  Au3  3  0.0000  0.0000  0.1749  1.0
  Cl  Cl4  3  0.0000  0.0000  0.4933  1.0
  Cl  Cl5  3  0.0000  0.0000  0.9980  1.0
]