data_[Cd18Sn3Hg36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Sn  1.9600  1.4500  0.8300
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [10.6570]
_cell_length_b [10.6570]
_cell_length_c [15.6195]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Cd6SnHg12]
_chemical_formula_sum '[Cd18 Sn3 Hg36]'
_cell_volume [1536.2697]
_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  0.0296  0.4138  0.7161  1.0
  Sn  Sn1  3  0.0000  0.0000  0.0000  1.0
  Hg  Hg2  18  0.0478  0.8441  0.4130  1.0
  Hg  Hg3  18  0.0593  0.8705  0.7850  1.0
]