data_[Tb16Tl4Hg2]
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 [18.0802]
_cell_length_b [5.2272]
_cell_length_c [7.0519]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.4619]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb8Tl2Hg]
_chemical_formula_sum '[Tb16 Tl4 Hg2]'
_cell_volume [659.2165]
_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  0.0296  0.0000  0.7445  1.0
  Tb  Tb1  4  0.0884  0.5000  0.4426  1.0
  Tb  Tb2  4  0.1609  0.5000  0.9421  1.0
  Tb  Tb3  4  0.1845  0.0000  0.2808  1.0
  Tl  Tl4  4  0.2061  0.0000  0.7258  1.0
  Hg  Hg5  2  0.0000  0.5000  0.0000  1.0
]