data_[Ac8Tb12Tl16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Tb  1.1000  1.7500  0.9815
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [7.3157]
_cell_length_b [17.3621]
_cell_length_c [9.2613]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Ac2Tb3Tl4]
_chemical_formula_sum '[Ac8 Tb12 Tl16]'
_cell_volume [1176.3209]
_cell_formula_units_Z [4]
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
[
  Ac  Ac0  8  0.0000  0.1108  0.4209  1
  Tb  Tb1  8  0.2500  0.2164  0.7500  1
  Tb  Tb2  4  0.0000  0.0000  0.0000  1
  Tl  Tl3  8  0.0000  0.1838  0.0415  1
  Tl  Tl4  8  0.2500  0.0392  0.7500  1
]