data_[Cs3Cd9Hg1Au2]
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 [P-3m1]
_cell_length_a [7.8783]
_cell_length_b [7.8783]
_cell_length_c [9.6797]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Cs3Cd9HgAu2]
_chemical_formula_sum '[Cs3 Cd9 Hg1 Au2]'
_cell_volume [520.3063]
_cell_formula_units_Z [1]
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  2  0.3333  0.6667  0.3328  1.0
  Cs  Cs1  1  0.0000  0.0000  0.0000  1.0
  Cd  Cd2  6  0.1716  0.3433  0.6712  1.0
  Cd  Cd3  3  0.0000  0.5000  0.0000  1.0
  Hg  Hg4  1  0.0000  0.0000  0.5000  1.0
  Au  Au5  2  0.3333  0.6667  0.8415  1.0
]