data_[Al16Cu24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [Fdd2]
_cell_length_a [8.9054]
_cell_length_b [12.3944]
_cell_length_c [4.7507]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [43]
_chemical_formula_structural [Al2Cu3]
_chemical_formula_sum '[Al16 Cu24]'
_cell_volume [524.3735]
_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  0.0388  0.1973  0.8768  1.0
  Cu  Cu1  16  0.0523  0.1033  0.4023  1.0
  Cu  Cu2  8  0.0000  0.0000  0.9419  1.0
]