data_[Tb14Hg6]
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 [P6_3mc]
_cell_length_a [10.1965]
_cell_length_b [10.1965]
_cell_length_c [6.5852]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [186]
_chemical_formula_structural [Tb7Hg3]
_chemical_formula_sum '[Tb14 Hg6]'
_cell_volume [592.9266]
_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  6  0.0641  0.5321  0.1526  1.0
  Tb  Tb1  6  0.1288  0.8712  0.4245  1.0
  Tb  Tb2  2  0.3333  0.6667  0.5800  1.0
  Hg  Hg3  6  0.1971  0.3941  0.8656  1.0
]