data_[Tb16Al2Tl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Al  1.6100  1.2500  0.6750
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.8283]
_cell_length_b [14.9407]
_cell_length_c [5.5484]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.4870]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb8AlTl2]
_chemical_formula_sum '[Tb16 Al2 Tl4]'
_cell_volume [660.6203]
_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  8  0.2092  0.1114  0.1006  1
  Tb  Tb1  4  0.0000  0.2125  0.5000  1
  Tb  Tb2  4  0.1100  0.5000  0.3059  1
  Al  Al3  2  0.0000  0.0000  0.5000  1
  Tl  Tl4  4  0.0000  0.3041  0.0000  1
]