data_[Ac16Nd4Tl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Nd  1.1400  1.8500  1.2765
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [10.1279]
_cell_length_b [10.1279]
_cell_length_c [10.1279]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [216]
_chemical_formula_structural [Ac4NdTl]
_chemical_formula_sum '[Ac16 Nd4 Tl4]'
_cell_volume [1038.8617]
_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  16  0.1252  0.1252  0.6252  1
  Nd  Nd1  4  0.2500  0.2500  0.2500  1
  Tl  Tl2  4  0.0000  0.0000  0.0000  1
]