data_[Cd24Hg40Pb96]
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
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Ia-3d]
_cell_length_a [17.8662]
_cell_length_b [17.8662]
_cell_length_c [17.8662]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [230]
_chemical_formula_structural [Cd3Hg5Pb12]
_chemical_formula_sum '[Cd24 Hg40 Pb96]'
_cell_volume [5702.8838]
_cell_formula_units_Z [8]
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  24  0.0000  0.2500  0.1250  1
  Hg  Hg1  24  0.0000  0.2500  0.3750  1
  Hg  Hg2  16  0.0000  0.0000  0.0000  1
  Pb  Pb3  96  0.0145  0.0808  0.6489  1
]