data_[Cs6Cd3Hg36Au9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Cd  1.6900  1.5500  1.0900
  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 [9.2869]
_cell_length_b [9.2869]
_cell_length_c [28.3570]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Cs2Cd(Hg4Au)3]
_chemical_formula_sum '[Cs6 Cd3 Hg36 Au9]'
_cell_volume [2118.0119]
_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  0.3619  1
  Cd  Cd1  3  0.0000  0.0000  0.0000  1
  Hg  Hg2  18  0.0652  0.5326  0.6004  1
  Hg  Hg3  18  0.0778  0.5389  0.8884  1
  Au  Au4  9  0.0000  0.5000  0.5000  1
]