data_[Ac8Al8Zn32]
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
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [10.6996]
_cell_length_b [10.6996]
_cell_length_c [9.0577]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [AcAlZn4]
_chemical_formula_sum '[Ac8 Al8 Zn32]'
_cell_volume [1036.9353]
_cell_formula_units_Z [8]
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  4  0.0000  0.0000  0.2005  1
  Ac  Ac1  4  0.0000  0.5000  0.2500  1
  Al  Al2  8  0.0000  0.2388  0.5000  1
  Zn  Zn3  16  0.1123  0.2806  0.0000  1
  Zn  Zn4  16  0.1884  0.1884  0.3316  1
]