# generated using pymatgen
data_AlCu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.25732887
_cell_length_b   4.50546268
_cell_length_c   47.48487825
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCu3
_chemical_formula_sum   'Al8 Cu24'
_cell_volume   910.818671708
_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  Al1  1  0.501837  0.339216  0.344479  1
  Al  Al2  1  1.001837  0.681922  0.288308  1
  Al  Al3  1  0.501837  0.337546  0.455440  1
  Al  Al4  1  1.001837  0.669579  0.399598  1
  Al  Al5  1  0.501837  0.337141  0.566619  1
  Al  Al6  1  1.001837  0.668123  0.510974  1
  Al  Al7  1  0.501837  0.336517  0.677985  1
  Al  Al8  1  1.001837  0.668075  0.622292  1
  Cu  Cu9  1  0.501837  0.328154  0.289370  1
  Cu  Cu10  1  1.001837  0.686755  0.343674  1
  Cu  Cu11  1  0.501837  0.838207  0.372048  1
  Cu  Cu12  1  0.501837  0.836836  0.316374  1
  Cu  Cu13  1  1.001837  0.171013  0.371881  1
  Cu  Cu14  1  1.001837  0.179573  0.316422  1
  Cu  Cu15  1  0.501837  0.325051  0.399919  1
  Cu  Cu16  1  1.001837  0.681853  0.455310  1
  Cu  Cu17  1  0.501837  0.836699  0.483256  1
  Cu  Cu18  1  0.501837  0.837004  0.427526  1
  Cu  Cu19  1  1.001837  0.168889  0.483120  1
  Cu  Cu20  1  1.001837  0.169727  0.427611  1
  Cu  Cu21  1  0.501837  0.323947  0.511020  1
  Cu  Cu22  1  1.001837  0.681308  0.566618  1
  Cu  Cu23  1  0.501837  0.836458  0.594458  1
  Cu  Cu24  1  0.501837  0.836445  0.538744  1
  Cu  Cu25  1  1.001837  0.168735  0.594339  1
  Cu  Cu26  1  1.001837  0.168735  0.538857  1
  Cu  Cu27  1  0.501837  0.323935  0.622248  1
  Cu  Cu28  1  1.001837  0.682759  0.678078  1
  Cu  Cu29  1  0.501837  0.837842  0.704561  1
  Cu  Cu30  1  0.501837  0.836196  0.649828  1
  Cu  Cu31  1  1.001837  0.168880  0.704484  1
  Cu  Cu32  1  1.001837  0.168997  0.649944  1
