# generated using pymatgen
data_Al3Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.30658493
_cell_length_b   15.18014067
_cell_length_c   50.12636991
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   85.28679759
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Cu
_chemical_formula_sum   'Al108 Cu36'
_cell_volume   4782.61294469
_cell_formula_units_Z   36
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  0.664815  0.615919  0.273531  1
  Al  Al2  1  0.984224  0.082749  0.319940  1
  Al  Al3  1  0.076278  0.597889  0.295025  1
  Al  Al4  1  0.579201  0.095343  0.295242  1
  Al  Al5  1  0.343668  0.735462  0.290652  1
  Al  Al6  1  0.845797  0.235721  0.291258  1
  Al  Al7  1  0.756274  0.714663  0.316633  1
  Al  Al8  1  0.256549  0.213943  0.314496  1
  Al  Al9  1  0.402762  0.477210  0.278263  1
  Al  Al10  1  0.901418  0.972226  0.279623  1
  Al  Al11  1  0.803955  0.459970  0.301101  1
  Al  Al12  1  0.307238  0.956974  0.300909  1
  Al  Al13  1  0.479679  0.583340  0.321577  1
  Al  Al14  1  0.790599  0.055357  0.371567  1
  Al  Al15  1  0.885145  0.567431  0.346406  1
  Al  Al16  1  0.385646  0.067888  0.345846  1
  Al  Al17  1  0.160309  0.702378  0.340987  1
  Al  Al18  1  0.660342  0.202607  0.340023  1
  Al  Al19  1  0.562828  0.690711  0.366339  1
  Al  Al20  1  0.063583  0.189642  0.365109  1
  Al  Al21  1  0.208062  0.450945  0.328228  1
  Al  Al22  1  0.707405  0.949133  0.328033  1
  Al  Al23  1  0.615077  0.432885  0.352425  1
  Al  Al24  1  0.114973  0.934242  0.352242  1
  Al  Al25  1  0.290469  0.554809  0.372396  1
  Al  Al26  1  0.595871  0.027156  0.422009  1
  Al  Al27  1  0.693547  0.540222  0.397008  1
  Al  Al28  1  0.193448  0.041144  0.396778  1
  Al  Al29  1  0.965195  0.676730  0.391081  1
  Al  Al30  1  0.465464  0.176666  0.390483  1
  Al  Al31  1  0.368184  0.663654  0.416351  1
  Al  Al32  1  0.868455  0.162651  0.415907  1
  Al  Al33  1  0.017952  0.417960  0.377767  1
  Al  Al34  1  0.516787  0.918871  0.377832  1
  Al  Al35  1  0.420894  0.402850  0.402334  1
  Al  Al36  1  0.920520  0.905366  0.402709  1
  Al  Al37  1  0.096136  0.526218  0.422122  1
  Al  Al38  1  0.401363  0.999047  0.472411  1
  Al  Al39  1  0.498482  0.512084  0.446915  1
  Al  Al40  1  0.998820  0.013044  0.447208  1
  Al  Al41  1  0.771202  0.648888  0.441298  1
  Al  Al42  1  0.271397  0.148782  0.441222  1
  Al  Al43  1  0.173965  0.635053  0.466373  1
  Al  Al44  1  0.674243  0.134771  0.466468  1
  Al  Al45  1  0.822975  0.389311  0.427611  1
  Al  Al46  1  0.322763  0.890744  0.427936  1
  Al  Al47  1  0.225894  0.375587  0.452689  1
  Al  Al48  1  0.725857  0.877289  0.453138  1
  Al  Al49  1  0.901234  0.498186  0.472081  1
  Al  Al50  1  0.206989  0.971357  0.522738  1
  Al  Al51  1  0.303831  0.484341  0.497170  1
  Al  Al52  1  0.804392  0.985203  0.497648  1
  Al  Al53  1  0.576748  0.620489  0.491395  1
  Al  Al54  1  0.076893  0.121144  0.491696  1
  Al  Al55  1  0.979628  0.606685  0.516551  1
  Al  Al56  1  0.479763  0.107374  0.516891  1
  Al  Al57  1  0.628459  0.362170  0.477928  1
  Al  Al58  1  0.128595  0.862859  0.478268  1
  Al  Al59  1  0.031330  0.348400  0.503123  1
  Al  Al60  1  0.531475  0.849055  0.503424  1
  Al  Al61  1  0.706860  0.470497  0.522408  1
  Al  Al62  1  0.012087  0.943326  0.572697  1
  Al  Al63  1  0.109403  0.456500  0.547611  1
  Al  Al64  1  0.609740  0.957460  0.547903  1
  Al  Al65  1  0.382365  0.592254  0.541680  1
  Al  Al66  1  0.882329  0.093956  0.542130  1
  Al  Al67  1  0.785460  0.578800  0.566882  1
  Al  Al68  1  0.285248  0.080233  0.567208  1
  Al  Al69  1  0.433980  0.334772  0.528351  1
  Al  Al70  1  0.934258  0.834491  0.528445  1
  Al  Al71  1  0.836825  0.320762  0.553597  1
  Al  Al72  1  0.337021  0.820656  0.553521  1
  Al  Al73  1  0.512352  0.442388  0.572810  1
  Al  Al74  1  0.817754  0.914735  0.622422  1
  Al  Al75  1  0.914775  0.428399  0.598041  1
  Al  Al76  1  0.414675  0.929322  0.597811  1
  Al  Al77  1  0.187702  0.564178  0.592110  1
  Al  Al78  1  0.687328  0.066694  0.592484  1
  Al  Al79  1  0.591436  0.550673  0.616986  1
  Al  Al80  1  0.090271  0.051584  0.617052  1
  Al  Al81  1  0.239768  0.306893  0.578911  1
  Al  Al82  1  0.740039  0.805889  0.578468  1
  Al  Al83  1  0.642759  0.292878  0.604336  1
  Al  Al84  1  0.143028  0.792814  0.603737  1
  Al  Al85  1  0.317623  0.414187  0.623251  1
  Al  Al86  1  0.628544  0.886204  0.673242  1
  Al  Al87  1  0.722576  0.401656  0.648972  1
  Al  Al88  1  0.223078  0.902113  0.648412  1
  Al  Al89  1  0.993250  0.535302  0.642577  1
  Al  Al90  1  0.493146  0.036659  0.642393  1
  Al  Al91  1  0.400818  0.520411  0.666786  1
  Al  Al92  1  0.900161  0.018598  0.666591  1
  Al  Al93  1  0.044640  0.279902  0.629710  1
  Al  Al94  1  0.545395  0.778833  0.628480  1
  Al  Al95  1  0.447881  0.266937  0.654796  1
  Al  Al96  1  0.947913  0.767166  0.653832  1
  Al  Al97  1  0.123999  0.386795  0.674879  1
  Al  Al98  1  0.443407  0.853624  0.721287  1
  Al  Al99  1  0.529022  0.374201  0.699577  1
  Al  Al100  1  0.031945  0.871654  0.699794  1
  Al  Al101  1  0.800985  0.512569  0.693910  1
  Al  Al102  1  0.304268  0.009574  0.693718  1
  Al  Al103  1  0.206804  0.497318  0.715195  1
  Al  Al104  1  0.705461  0.992333  0.716556  1
  Al  Al105  1  0.851674  0.255601  0.680322  1
  Al  Al106  1  0.351948  0.754881  0.678186  1
  Al  Al107  1  0.262426  0.233823  0.703561  1
  Al  Al108  1  0.764554  0.734082  0.704167  1
  Cu  Cu109  1  0.524198  0.339521  0.310313  1
  Cu  Cu110  1  0.025712  0.837709  0.310886  1
  Cu  Cu111  1  0.136244  0.353961  0.287507  1
  Cu  Cu112  1  0.640960  0.848412  0.287259  1
  Cu  Cu113  1  0.337399  0.310764  0.358234  1
  Cu  Cu114  1  0.838807  0.812092  0.359328  1
  Cu  Cu115  1  0.937383  0.325890  0.334194  1
  Cu  Cu116  1  0.435005  0.825166  0.334526  1
  Cu  Cu117  1  0.144364  0.282417  0.409014  1
  Cu  Cu118  1  0.645039  0.784286  0.409626  1
  Cu  Cu119  1  0.742210  0.296487  0.383646  1
  Cu  Cu120  1  0.239988  0.798203  0.384164  1
  Cu  Cu121  1  0.949911  0.255196  0.459605  1
  Cu  Cu122  1  0.450353  0.756212  0.459866  1
  Cu  Cu123  1  0.547354  0.268746  0.434343  1
  Cu  Cu124  1  0.046248  0.770275  0.434614  1
  Cu  Cu125  1  0.755316  0.227963  0.510000  1
  Cu  Cu126  1  0.255903  0.727632  0.509968  1
  Cu  Cu127  1  0.352907  0.241581  0.484818  1
  Cu  Cu128  1  0.852320  0.741911  0.484851  1
  Cu  Cu129  1  0.560869  0.200798  0.560476  1
  Cu  Cu130  1  0.061975  0.699269  0.560205  1
  Cu  Cu131  1  0.158312  0.214347  0.535213  1
  Cu  Cu132  1  0.657870  0.713331  0.534952  1
  Cu  Cu133  1  0.366012  0.173057  0.611173  1
  Cu  Cu134  1  0.868235  0.671341  0.610655  1
  Cu  Cu135  1  0.963859  0.187127  0.585805  1
  Cu  Cu136  1  0.463183  0.685257  0.585192  1
  Cu  Cu137  1  0.170840  0.143654  0.660624  1
  Cu  Cu138  1  0.673218  0.644378  0.660293  1
  Cu  Cu139  1  0.770824  0.158780  0.636584  1
  Cu  Cu140  1  0.269416  0.657452  0.635491  1
  Cu  Cu141  1  0.971979  0.115583  0.707312  1
  Cu  Cu142  1  0.467263  0.621132  0.707559  1
  Cu  Cu143  1  0.584025  0.130022  0.684505  1
  Cu  Cu144  1  0.082511  0.631835  0.683933  1
