data_[Cd36Ag3Hg18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Ag  1.9300  1.6000  1.0867
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [11.5871]
_cell_length_b [11.5871]
_cell_length_c [11.9140]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Cd12AgHg6]
_chemical_formula_sum '[Cd36 Ag3 Hg18]'
_cell_volume [1385.2791]
_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
[
  Cd  Cd0  18  0.0000  0.2592  0.0000  1.0
  Cd  Cd1  18  0.0595  0.5298  0.1200  1.0
  Ag  Ag2  3  0.0000  0.0000  0.0000  1.0
  Hg  Hg3  18  0.0865  0.1730  0.7601  1.0
]