data_[Tb16Tl4Pb2]
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
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.2170]
_cell_length_b [4.9705]
_cell_length_c [8.2023]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.5488]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb8Tl2Pb]
_chemical_formula_sum '[Tb16 Tl4 Pb2]'
_cell_volume [652.8622]
_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  0.0535  0.0000  0.7252  1.0
  Tb  Tb1  4  0.0952  0.5000  0.4541  1.0
  Tb  Tb2  4  0.1439  0.0000  0.2038  1.0
  Tb  Tb3  4  0.1799  0.5000  0.9392  1.0
  Tl  Tl4  4  0.2236  0.0000  0.6485  1.0
  Pb  Pb5  2  0.0000  0.5000  0.0000  1.0
]