data_[Ba16Cd8Hg24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Cd  1.6900  1.5500  1.0900
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [8.4686]
_cell_length_b [10.6029]
_cell_length_c [18.1668]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [Ba2CdHg3]
_chemical_formula_sum '[Ba16 Cd8 Hg24]'
_cell_volume [1631.2343]
_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
[
  Ba  Ba0  8  0.2456  0.0000  0.0000  1.0
  Ba  Ba1  8  0.2500  0.2500  0.2500  1.0
  Cd  Cd2  8  0.0000  0.0000  0.3331  1.0
  Hg  Hg3  16  0.0000  0.2468  0.4164  1.0
  Hg  Hg4  8  0.0000  0.0000  0.1689  1.0
]