# generated using pymatgen
data_Al3Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.20808922
_cell_length_b   9.07193433
_cell_length_c   49.42539413
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Cu
_chemical_formula_sum   'Al72 Cu24'
_cell_volume   3231.99136894
_cell_formula_units_Z   24
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  0.524440  0.969466  0.276267  1
  Al  Al2  1  0.524440  0.579066  0.308903  1
  Al  Al3  1  0.524440  0.278493  0.290356  1
  Al  Al4  1  0.273082  0.076920  0.312252  1
  Al  Al5  1  0.246771  0.773362  0.291675  1
  Al  Al6  1  0.236655  0.476589  0.276508  1
  Al  Al7  1  0.775798  0.076920  0.312252  1
  Al  Al8  1  0.802108  0.773362  0.291675  1
  Al  Al9  1  0.812225  0.476589  0.276508  1
  Al  Al10  1  0.524440  0.871751  0.329465  1
  Al  Al11  1  0.524440  0.478529  0.367649  1
  Al  Al12  1  0.524440  0.176725  0.349587  1
  Al  Al13  1  0.258176  0.977641  0.367318  1
  Al  Al14  1  0.265227  0.678910  0.348645  1
  Al  Al15  1  0.270181  0.377021  0.330002  1
  Al  Al16  1  0.790703  0.977641  0.367318  1
  Al  Al17  1  0.783652  0.678910  0.348645  1
  Al  Al18  1  0.778699  0.377021  0.330002  1
  Al  Al19  1  0.524440  0.778521  0.386326  1
  Al  Al20  1  0.524440  0.376553  0.422958  1
  Al  Al21  1  0.524440  0.077227  0.404734  1
  Al  Al22  1  0.256422  0.876024  0.423087  1
  Al  Al23  1  0.256201  0.576646  0.404381  1
  Al  Al24  1  0.255664  0.277643  0.385846  1
  Al  Al25  1  0.792457  0.876024  0.423087  1
  Al  Al26  1  0.792678  0.576646  0.404381  1
  Al  Al27  1  0.793215  0.277643  0.385846  1
  Al  Al28  1  0.524440  0.676091  0.441557  1
  Al  Al29  1  0.524440  0.275658  0.478889  1
  Al  Al30  1  0.524440  0.975592  0.460221  1
  Al  Al31  1  0.259073  0.775906  0.478932  1
  Al  Al32  1  0.259470  0.476007  0.460352  1
  Al  Al33  1  0.258246  0.176144  0.441765  1
  Al  Al34  1  0.789806  0.775906  0.478932  1
  Al  Al35  1  0.789410  0.476007  0.460352  1
  Al  Al36  1  0.790633  0.176144  0.441765  1
  Al  Al37  1  0.524440  0.576201  0.497594  1
  Al  Al38  1  0.524440  0.175768  0.534926  1
  Al  Al39  1  0.524440  0.876268  0.516263  1
  Al  Al40  1  0.258246  0.675716  0.534719  1
  Al  Al41  1  0.259470  0.375853  0.516131  1
  Al  Al42  1  0.259073  0.075954  0.497551  1
  Al  Al43  1  0.790633  0.675716  0.534719  1
  Al  Al44  1  0.789410  0.375853  0.516131  1
  Al  Al45  1  0.789806  0.075954  0.497551  1
  Al  Al46  1  0.524440  0.475306  0.553525  1
  Al  Al47  1  0.524440  0.073339  0.590158  1
  Al  Al48  1  0.524440  0.774632  0.571749  1
  Al  Al49  1  0.255664  0.574217  0.590637  1
  Al  Al50  1  0.256201  0.275214  0.572103  1
  Al  Al51  1  0.256422  0.975836  0.553397  1
  Al  Al52  1  0.793215  0.574217  0.590637  1
  Al  Al53  1  0.792678  0.275214  0.572103  1
  Al  Al54  1  0.792457  0.975836  0.553397  1
  Al  Al55  1  0.524440  0.373331  0.608835  1
  Al  Al56  1  0.524440  0.980109  0.647018  1
  Al  Al57  1  0.524440  0.675134  0.626897  1
  Al  Al58  1  0.270181  0.474838  0.646481  1
  Al  Al59  1  0.265227  0.172950  0.627838  1
  Al  Al60  1  0.258176  0.874219  0.609166  1
  Al  Al61  1  0.778699  0.474838  0.646481  1
  Al  Al62  1  0.783652  0.172950  0.627838  1
  Al  Al63  1  0.790703  0.874219  0.609166  1
  Al  Al64  1  0.524440  0.272793  0.667581  1
  Al  Al65  1  0.524440  0.882393  0.700216  1
  Al  Al66  1  0.524440  0.573367  0.686128  1
  Al  Al67  1  0.236655  0.375271  0.699976  1
  Al  Al68  1  0.246771  0.078497  0.684808  1
  Al  Al69  1  0.273082  0.774940  0.664231  1
  Al  Al70  1  0.812225  0.375271  0.699976  1
  Al  Al71  1  0.802108  0.078497  0.684808  1
  Al  Al72  1  0.775798  0.774940  0.664231  1
  Cu  Cu73  1  0.024440  -0.007188  0.278523  1
  Cu  Cu74  1  0.024440  0.575357  0.314802  1
  Cu  Cu75  1  0.024440  0.268929  0.295804  1
  Cu  Cu76  1  0.024440  0.879148  0.330092  1
  Cu  Cu77  1  0.024440  0.477662  0.366453  1
  Cu  Cu78  1  0.024440  0.178543  0.347999  1
  Cu  Cu79  1  0.024440  0.776234  0.385283  1
  Cu  Cu80  1  0.024440  0.376495  0.423392  1
  Cu  Cu81  1  0.024440  0.076717  0.404530  1
  Cu  Cu82  1  0.024440  0.675527  0.441935  1
  Cu  Cu83  1  0.024440  0.276296  0.479010  1
  Cu  Cu84  1  0.024440  0.976157  0.460497  1
  Cu  Cu85  1  0.024440  0.575563  0.497474  1
  Cu  Cu86  1  0.024440  0.176332  0.534549  1
  Cu  Cu87  1  0.024440  0.875703  0.515986  1
  Cu  Cu88  1  0.024440  0.475365  0.553091  1
  Cu  Cu89  1  0.024440  0.075626  0.591200  1
  Cu  Cu90  1  0.024440  0.775143  0.571954  1
  Cu  Cu91  1  0.024440  0.374198  0.610030  1
  Cu  Cu92  1  0.024440  0.972712  0.646391  1
  Cu  Cu93  1  0.024440  0.673317  0.628484  1
  Cu  Cu94  1  0.024440  0.276503  0.661681  1
  Cu  Cu95  1  0.024440  0.859048  0.697960  1
  Cu  Cu96  1  0.024440  0.582931  0.680679  1
