data_[Al16Zn24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [Fddd]
_cell_length_a [4.6104]
_cell_length_b [9.5926]
_cell_length_c [14.7108]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [70]
_chemical_formula_structural [Al2Zn3]
_chemical_formula_sum '[Al16 Zn24]'
_cell_volume [650.6006]
_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
[
  Al  Al0  16  0.0000  0.0000  0.1968  1.0
  Zn  Zn1  16  0.0000  0.0000  0.4016  1.0
  Zn  Zn2  8  0.0000  0.0000  0.0000  1.0
]