data_[Cs9Hg24Au6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Hg  2.0000  1.5000  1.2450
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [6.6231]
_cell_length_b [6.6231]
_cell_length_c [37.2794]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Cs3(Hg4Au)2]
_chemical_formula_sum '[Cs9 Hg24 Au6]'
_cell_volume [1416.2073]
_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  0.1865  1.0
  Cs  Cs1  3  0.0000  0.0000  0.0000  1.0
  Hg  Hg2  18  0.0041  0.5021  0.2401  1.0
  Hg  Hg3  6  0.0000  0.0000  0.2883  1.0
  Au  Au4  6  0.0000  0.0000  0.3652  1.0
]