data_[Al10Cu2]
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 [Amm2]
_cell_length_a [4.4349]
_cell_length_b [2.8772]
_cell_length_c [14.8230]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Al5Cu]
_chemical_formula_sum '[Al10 Cu2]'
_cell_volume [189.1457]
_cell_formula_units_Z [2]
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  2  0.0000  0.0000  0.3397  1
  Al  Al1  2  0.0000  0.0000  0.6671  1
  Al  Al2  2  0.0000  0.0000  0.9975  1
  Al  Al3  2  0.5000  0.0000  0.2303  1
  Al  Al4  2  0.5000  0.0000  0.5468  1
  Cu  Cu5  2  0.5000  0.0000  0.8854  1
]