# generated using pymatgen
data_Al3Cu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.20969015
_cell_length_b   6.66511692
_cell_length_c   47.66293718
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   108.40912637
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Cu2
_chemical_formula_sum   'Al21 Cu14'
_cell_volume   1268.89344573
_cell_formula_units_Z   7
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  0.935325  0.470650  0.302225  1
  Al  Al2  1  0.520959  0.641917  0.381773  1
  Al  Al3  1  0.536794  0.673588  0.322904  1
  Al  Al4  1  0.137861  0.875721  0.343754  1
  Al  Al5  1  0.913653  0.427306  0.414994  1
  Al  Al6  1  0.926657  0.453314  0.357918  1
  Al  Al7  1  0.701544  0.003088  0.425725  1
  Al  Al8  1  0.290110  0.180219  0.458940  1
  Al  Al9  1  0.313627  0.227255  0.394421  1
  Al  Al10  1  0.915411  0.430822  0.471837  1
  Al  Al11  1  0.599892  0.799783  0.533356  1
  Al  Al12  1  0.634825  0.869650  0.479478  1
  Al  Al13  1  0.334962  0.269924  0.550346  1
  Al  Al14  1  0.914111  0.428222  0.596382  1
  Al  Al15  1  0.971835  0.543670  0.539223  1
  Al  Al16  1  0.523112  0.646223  0.585490  1
  Al  Al17  1  0.241397  0.082793  0.661429  1
  Al  Al18  1  0.299713  0.199425  0.608172  1
  Al  Al19  1  0.021028  0.642057  0.682969  1
  Al  Al20  1  0.640561  0.881122  0.680361  1
  Al  Al21  1  0.682696  0.965393  0.623290  1
  Cu  Cu22  1  0.337932  0.275864  0.337481  1
  Cu  Cu23  1  0.744939  0.089878  0.319241  1
  Cu  Cu24  1  0.723625  0.047250  0.370745  1
  Cu  Cu25  1  0.114983  0.829966  0.397859  1
  Cu  Cu26  1  0.094174  0.788349  0.448604  1
  Cu  Cu27  1  0.489015  0.578030  0.439042  1
  Cu  Cu28  1  0.428635  0.457270  0.502032  1
  Cu  Cu29  1  0.792476  0.184952  0.514784  1
  Cu  Cu30  1  0.742242  0.084484  0.570332  1
  Cu  Cu31  1  0.134432  0.868864  0.574855  1
  Cu  Cu32  1  0.071605  0.743209  0.628757  1
  Cu  Cu33  1  0.472613  0.545227  0.640861  1
  Cu  Cu34  1  0.408268  0.416536  0.690000  1
  Cu  Cu35  1  0.862410  0.324820  0.650420  1
