data_[Tb4Hg16Pb2]
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/m]
_cell_length_a [17.5731]
_cell_length_b [4.6817]
_cell_length_c [7.3791]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.1251]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb2Hg8Pb]
_chemical_formula_sum '[Tb4 Hg16 Pb2]'
_cell_volume [570.0284]
_cell_formula_units_Z [2]
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  0.2171  0.0000  0.6749  1.0
  Hg  Hg1  4  0.0390  0.0000  0.7145  1.0
  Hg  Hg2  4  0.1084  0.5000  0.4390  1.0
  Hg  Hg3  4  0.1528  0.0000  0.2005  1.0
  Hg  Hg4  4  0.1634  0.5000  0.8979  1.0
  Pb  Pb5  2  0.0000  0.5000  0.0000  1.0
]