data_[Cs16Cd24Hg32]
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
]
_symmetry_space_group_name_H-M [Fddd]
_cell_length_a [6.5919]
_cell_length_b [11.2338]
_cell_length_c [33.6267]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [70]
_chemical_formula_structural [Cs2Cd3Hg4]
_chemical_formula_sum '[Cs16 Cd24 Hg32]'
_cell_volume [2490.1233]
_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
[
  Cs  Cs0  16  0.0000  0.0000  0.4260  1
  Cd  Cd1  16  0.0000  0.0000  0.2519  1
  Cd  Cd2  8  0.0000  0.0000  0.0000  1
  Hg  Hg3  32  0.0132  0.1606  0.0806  1
]