data_[Cd18Hg6Bi6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Hg  2.0000  1.5000  1.2450
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [R-3c]
_cell_length_a [8.4810]
_cell_length_b [8.4810]
_cell_length_c [13.4213]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [167]
_chemical_formula_structural [Cd3HgBi]
_chemical_formula_sum '[Cd18 Hg6 Bi6]'
_cell_volume [836.0244]
_cell_formula_units_Z [6]
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  0.3648  0.7500  1.0
  Hg  Hg1  6  0.0000  0.0000  0.5000  1.0
  Bi  Bi2  6  0.0000  0.0000  0.2500  1.0
]