data_[Tb16Cd8Hg24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Cd  1.6900  1.5500  1.0900
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [6.9129]
_cell_length_b [9.8887]
_cell_length_c [17.2013]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [Tb2CdHg3]
_chemical_formula_sum '[Tb16 Cd8 Hg24]'
_cell_volume [1175.8708]
_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
[
  Tb  Tb0  8  0.2473  0.0000  0.0000  1.0
  Tb  Tb1  8  0.2500  0.2500  0.2500  1.0
  Cd  Cd2  8  0.0000  0.0000  0.3332  1.0
  Hg  Hg3  16  0.0000  0.2474  0.4162  1.0
  Hg  Hg4  8  0.0000  0.0000  0.1678  1.0
]