data_[Tb12Hg4Pb8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Hg  2.0000  1.5000  1.2450
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [16.4691]
_cell_length_b [6.4019]
_cell_length_c [6.5687]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.3899]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Tb3HgPb2]
_chemical_formula_sum '[Tb12 Hg4 Pb8]'
_cell_volume [676.4278]
_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  8  0.1681  0.1070  0.0966  1.0
  Tb  Tb1  4  0.0000  0.3628  0.7500  1.0
  Hg  Hg2  4  0.0000  0.1215  0.2500  1.0
  Pb  Pb3  8  0.1613  0.3967  0.5597  1.0
]