data_[Al10Cu10]
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/m]
_cell_length_a [12.0788]
_cell_length_b [4.0958]
_cell_length_c [6.9203]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.9491]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [AlCu]
_chemical_formula_sum '[Al10 Cu10]'
_cell_volume [280.6208]
_cell_formula_units_Z [10]
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  4  0.1218  0.5000  0.0043  1.0
  Al  Al1  4  0.1562  0.0000  0.4614  1.0
  Al  Al2  2  0.0000  0.5000  0.5000  1.0
  Cu  Cu3  4  0.1090  0.0000  0.7719  1.0
  Cu  Cu4  4  0.2421  0.5000  0.7594  1.0
  Cu  Cu5  2  0.0000  0.0000  0.0000  1.0
]