data_[Tb4Cd12Hg8]
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 [C2/m]
_cell_length_a [13.0698]
_cell_length_b [4.5098]
_cell_length_c [10.3087]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.7575]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TbCd3Hg2]
_chemical_formula_sum '[Tb4 Cd12 Hg8]'
_cell_volume [568.1761]
_cell_formula_units_Z [4]
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  4  0.1489  0.0000  0.1187  1
  Cd  Cd1  4  0.0564  0.0000  0.3875  1
  Cd  Cd2  4  0.1147  0.5000  0.6127  1
  Cd  Cd3  4  0.2121  0.5000  0.3788  1
  Hg  Hg4  4  0.0214  0.5000  0.8582  1
  Hg  Hg5  4  0.1782  0.0000  0.8368  1
]