data_[Al8Cu20]
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 [C2/c]
_cell_length_a [11.2152]
_cell_length_b [6.2817]
_cell_length_c [5.1817]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.9940]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Al2Cu5]
_chemical_formula_sum '[Al8 Cu20]'
_cell_volume [364.8352]
_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
[
  Al  Al0  8  0.1044  0.1925  0.4938  1
  Cu  Cu1  8  0.1211  0.2145  0.9949  1
  Cu  Cu2  8  0.2283  0.4994  0.7467  1
  Cu  Cu3  4  0.0000  0.4997  0.2500  1
]