data_[Tb4Cd8Hg12]
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 [15.4462]
_cell_length_b [4.7798]
_cell_length_c [9.5003]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.3711]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TbCd2Hg3]
_chemical_formula_sum '[Tb4 Cd8 Hg12]'
_cell_volume [598.8669]
_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  0.1374  0.5000  0.0021  1.0
  Cd  Cd1  4  0.0587  0.0000  0.1782  1.0
  Cd  Cd2  4  0.2147  0.0000  0.5533  1.0
  Hg  Hg3  4  0.0505  0.5000  0.3837  1.0
  Hg  Hg4  4  0.1143  0.0000  0.7668  1.0
  Hg  Hg5  4  0.2354  0.5000  0.7665  1.0
]