data_[Tb20Hg8]
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
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [16.3916]
_cell_length_b [7.4354]
_cell_length_c [6.7073]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.8365]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Tb5Hg2]
_chemical_formula_sum '[Tb20 Hg8]'
_cell_volume [817.0495]
_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  0.0907  0.1447  0.0159  1.0
  Tb  Tb1  8  0.2301  0.4477  0.2559  1.0
  Tb  Tb2  4  0.0000  0.4888  0.7500  1.0
  Hg  Hg3  8  0.1137  0.2486  0.5203  1.0
]