data_[Cs18H3Au3Br6]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [8.7456]
_cell_length_b [8.7456]
_cell_length_c [25.6256]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Cs6HAuBr2]
_chemical_formula_sum '[Cs18 H3 Au3 Br6]'
_cell_volume [1697.3873]
_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  0.0054  0.6945  0.4120  1
  Cs  Cs1  9  0.0202  0.3460  0.9184  1
  H  H2  3  0.0000  0.0000  0.3321  1
  Au  Au3  3  0.0000  0.0000  0.8288  1
  Br  Br4  3  0.0000  0.0000  0.0032  1
  Br  Br5  3  0.0000  0.0000  0.5069  1
]