data_[Tb16Mg4Tl2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Mg  1.3100  1.5000  0.8600
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.4194]
_cell_length_b [5.3888]
_cell_length_c [8.6151]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.0764]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb8Mg2Tl]
_chemical_formula_sum '[Tb16 Mg4 Tl2]'
_cell_volume [652.8727]
_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  0.0670  0.0000  0.7196  1.0
  Tb  Tb1  4  0.0914  0.5000  0.4532  1.0
  Tb  Tb2  4  0.1372  0.0000  0.1820  1.0
  Tb  Tb3  4  0.1818  0.5000  0.9452  1.0
  Mg  Mg4  4  0.2278  0.0000  0.6143  1.0
  Tl  Tl5  2  0.0000  0.5000  0.0000  1.0
]