data_[Tb16Mg2Tl4]
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 [18.0391]
_cell_length_b [5.2517]
_cell_length_c [7.1063]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.5940]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb8MgTl2]
_chemical_formula_sum '[Tb16 Mg2 Tl4]'
_cell_volume [663.8155]
_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  0.0321  0.0000  0.7455  1.0
  Tb  Tb1  4  0.0900  0.5000  0.4489  1.0
  Tb  Tb2  4  0.1650  0.5000  0.9371  1.0
  Tb  Tb3  4  0.1764  0.0000  0.2668  1.0
  Mg  Mg4  2  0.0000  0.5000  0.0000  1.0
  Tl  Tl5  4  0.2089  0.0000  0.7121  1.0
]