data_[Tb14Tl8Hg2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Tl  1.6200  1.9000  1.3325
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.6348]
_cell_length_b [5.6853]
_cell_length_c [11.1878]
_cell_angle_alpha [90.0000]
_cell_angle_beta [127.2676]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb7Tl4Hg]
_chemical_formula_sum '[Tb14 Tl8 Hg2]'
_cell_volume [740.7866]
_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  0.0702  0.0000  0.3216  1
  Tb  Tb1  4  0.1580  0.5000  0.5884  1
  Tb  Tb2  4  0.2149  0.0000  0.8693  1
  Tb  Tb3  2  0.0000  0.5000  0.0000  1
  Tl  Tl4  4  0.0696  0.5000  0.7769  1
  Tl  Tl5  4  0.2082  0.5000  0.3397  1
  Hg  Hg6  2  0.0000  0.0000  0.0000  1
]