data_[Ac20Al8Sn4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Al  1.6100  1.2500  0.6750
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [8.5679]
_cell_length_b [8.5679]
_cell_length_c [15.6422]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [140]
_chemical_formula_structural [Ac5Al2Sn]
_chemical_formula_sum '[Ac20 Al8 Sn4]'
_cell_volume [1148.2700]
_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  0.1713  0.3287  0.3528  1
  Ac  Ac1  4  0.0000  0.0000  0.0000  1
  Al  Al2  8  0.1144  0.3856  0.0000  1
  Sn  Sn3  4  0.0000  0.0000  0.2500  1
]