# generated using pymatgen
data_AlCu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.52830388
_cell_length_b   17.80340951
_cell_length_c   48.97336499
_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   'Al36 Cu108'
_cell_volume   3948.19587744
_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  0.343248  0.417487  0.280948  1
  Al  Al2  1  0.339139  0.674738  0.331953  1
  Al  Al3  1  0.342542  0.047092  0.303877  1
  Al  Al4  1  0.652483  0.235089  0.291669  1
  Al  Al5  1  0.663945  0.601418  0.269023  1
  Al  Al6  1  0.669886  0.860411  0.319626  1
  Al  Al7  1  0.335934  0.304126  0.357243  1
  Al  Al8  1  0.338453  0.561755  0.408774  1
  Al  Al9  1  0.341022  0.933853  0.382561  1
  Al  Al10  1  0.665600  0.118889  0.369762  1
  Al  Al11  1  0.663958  0.490194  0.344653  1
  Al  Al12  1  0.665433  0.747876  0.395799  1
  Al  Al13  1  0.339239  0.190707  0.434035  1
  Al  Al14  1  0.338682  0.447978  0.485677  1
  Al  Al15  1  0.339074  0.819708  0.459846  1
  Al  Al16  1  0.664928  0.005441  0.446793  1
  Al  Al17  1  0.664990  0.376027  0.421443  1
  Al  Al18  1  0.664619  0.633711  0.472828  1
  Al  Al19  1  0.338699  0.077103  0.511090  1
  Al  Al20  1  0.338374  0.334263  0.562789  1
  Al  Al21  1  0.338915  0.705429  0.536817  1
  Al  Al22  1  0.664814  0.891424  0.523860  1
  Al  Al23  1  0.664727  0.262484  0.498401  1
  Al  Al24  1  0.664244  0.519658  0.549928  1
  Al  Al25  1  0.339212  0.963299  0.588077  1
  Al  Al26  1  0.338799  0.220717  0.639626  1
  Al  Al27  1  0.338550  0.591359  0.614107  1
  Al  Al28  1  0.665106  0.777477  0.600894  1
  Al  Al29  1  0.664883  0.148841  0.575368  1
  Al  Al30  1  0.663109  0.405996  0.626909  1
  Al  Al31  1  0.338330  0.850305  0.664467  1
  Al  Al32  1  0.344108  0.108525  0.715307  1
  Al  Al33  1  0.326404  0.479926  0.692066  1
  Al  Al34  1  0.663371  0.665599  0.677135  1
  Al  Al35  1  0.665943  0.034513  0.652219  1
  Al  Al36  1  0.666711  0.288101  0.705480  1
  Cu  Cu37  1  0.325105  0.175941  0.331269  1
  Cu  Cu38  1  0.324088  0.546055  0.305886  1
  Cu  Cu39  1  0.335375  0.912760  0.280825  1
  Cu  Cu40  1  0.673090  0.361625  0.318887  1
  Cu  Cu41  1  0.670613  0.731469  0.293080  1
  Cu  Cu42  1  0.677739  0.990775  0.343743  1
  Cu  Cu43  1  0.840486  0.481374  0.293492  1
  Cu  Cu44  1  0.840417  0.851543  0.269829  1
  Cu  Cu45  1  0.833247  0.112124  0.318416  1
  Cu  Cu46  1  0.834342  0.239797  0.343609  1
  Cu  Cu47  1  0.837138  0.610757  0.318988  1
  Cu  Cu48  1  0.842766  0.981002  0.292786  1
  Cu  Cu49  1  0.165442  0.425920  0.331754  1
  Cu  Cu50  1  0.170169  0.795215  0.305988  1
  Cu  Cu51  1  0.150301  0.170280  0.281738  1
  Cu  Cu52  1  0.157225  0.298961  0.306126  1
  Cu  Cu53  1  0.163215  0.668358  0.280926  1
  Cu  Cu54  1  0.169197  0.926329  0.331253  1
  Cu  Cu55  1  0.326017  0.062269  0.408135  1
  Cu  Cu56  1  0.324757  0.432872  0.383057  1
  Cu  Cu57  1  0.324320  0.804318  0.357360  1
  Cu  Cu58  1  0.678469  0.247464  0.395472  1
  Cu  Cu59  1  0.678724  0.618631  0.370441  1
  Cu  Cu60  1  0.678278  0.876805  0.421315  1
  Cu  Cu61  1  0.836491  0.368625  0.370081  1
  Cu  Cu62  1  0.838771  0.739372  0.344590  1
  Cu  Cu63  1  0.840188  0.998283  0.395347  1
  Cu  Cu64  1  0.838664  0.126394  0.421140  1
  Cu  Cu65  1  0.837787  0.497126  0.395871  1
  Cu  Cu66  1  0.840399  0.869224  0.370189  1
  Cu  Cu67  1  0.165320  0.311601  0.408516  1
  Cu  Cu68  1  0.166046  0.683089  0.383128  1
  Cu  Cu69  1  0.167248  0.054539  0.356088  1
  Cu  Cu70  1  0.164813  0.183112  0.382609  1
  Cu  Cu71  1  0.165120  0.554398  0.357541  1
  Cu  Cu72  1  0.166554  0.812515  0.408643  1
  Cu  Cu73  1  0.325721  0.948458  0.485383  1
  Cu  Cu74  1  0.325312  0.319290  0.459925  1
  Cu  Cu75  1  0.325717  0.690770  0.434326  1
  Cu  Cu76  1  0.678276  0.133918  0.472616  1
  Cu  Cu77  1  0.678228  0.504838  0.447185  1
  Cu  Cu78  1  0.677944  0.762559  0.498343  1
  Cu  Cu79  1  0.838207  0.255074  0.447056  1
  Cu  Cu80  1  0.838034  0.626414  0.421614  1
  Cu  Cu81  1  0.838467  0.884246  0.472619  1
  Cu  Cu82  1  0.838209  0.012656  0.498169  1
  Cu  Cu83  1  0.837976  0.383526  0.472758  1
  Cu  Cu84  1  0.838281  0.755136  0.447031  1
  Cu  Cu85  1  0.165529  0.198100  0.485434  1
  Cu  Cu86  1  0.165359  0.569172  0.459996  1
  Cu  Cu87  1  0.165773  0.941034  0.433939  1
  Cu  Cu88  1  0.165680  0.069747  0.459739  1
  Cu  Cu89  1  0.165558  0.440567  0.434406  1
  Cu  Cu90  1  0.165214  0.698305  0.485600  1
  Cu  Cu91  1  0.325825  0.834393  0.562319  1
  Cu  Cu92  1  0.325228  0.205714  0.536900  1
  Cu  Cu93  1  0.325561  0.576642  0.511339  1
  Cu  Cu94  1  0.678074  0.020173  0.549581  1
  Cu  Cu95  1  0.677683  0.391061  0.524182  1
  Cu  Cu96  1  0.677386  0.648417  0.575380  1
  Cu  Cu97  1  0.837998  0.141510  0.524046  1
  Cu  Cu98  1  0.837852  0.512446  0.498574  1
  Cu  Cu99  1  0.838000  0.770017  0.549652  1
  Cu  Cu100  1  0.837867  0.898756  0.575073  1
  Cu  Cu101  1  0.837860  0.269870  0.549743  1
  Cu  Cu102  1  0.838184  0.640881  0.524071  1
  Cu  Cu103  1  0.165522  0.084412  0.562400  1
  Cu  Cu104  1  0.164992  0.455262  0.536992  1
  Cu  Cu105  1  0.165404  0.826842  0.511067  1
  Cu  Cu106  1  0.165688  0.955941  0.536768  1
  Cu  Cu107  1  0.165354  0.326903  0.511378  1
  Cu  Cu108  1  0.164935  0.584102  0.562763  1
  Cu  Cu109  1  0.321806  0.721100  0.639152  1
  Cu  Cu110  1  0.326285  0.091947  0.613811  1
  Cu  Cu111  1  0.324159  0.462842  0.588511  1
  Cu  Cu112  1  0.680335  0.906531  0.626421  1
  Cu  Cu113  1  0.678426  0.277379  0.601279  1
  Cu  Cu114  1  0.674888  0.534408  0.652986  1
  Cu  Cu115  1  0.838837  0.027770  0.600940  1
  Cu  Cu116  1  0.837825  0.398623  0.575637  1
  Cu  Cu117  1  0.837335  0.656169  0.626495  1
  Cu  Cu118  1  0.837581  0.786023  0.652170  1
  Cu  Cu119  1  0.838746  0.156090  0.626731  1
  Cu  Cu120  1  0.837873  0.526965  0.601340  1
  Cu  Cu121  1  0.166029  0.970635  0.639504  1
  Cu  Cu122  1  0.164174  0.341667  0.614274  1
  Cu  Cu123  1  0.165825  0.712654  0.587992  1
  Cu  Cu124  1  0.165730  0.842185  0.613447  1
  Cu  Cu125  1  0.165482  0.213264  0.588329  1
  Cu  Cu126  1  0.164185  0.470427  0.640259  1
  Cu  Cu127  1  0.326927  0.611980  0.716087  1
  Cu  Cu128  1  0.335590  0.977969  0.691419  1
  Cu  Cu129  1  0.327987  0.349329  0.665944  1
  Cu  Cu130  1  0.668079  0.795410  0.703622  1
  Cu  Cu131  1  0.680944  0.162672  0.677869  1
  Cu  Cu132  1  0.686097  0.422452  0.727280  1
  Cu  Cu133  1  0.837193  0.914459  0.678428  1
  Cu  Cu134  1  0.836794  0.285003  0.653105  1
  Cu  Cu135  1  0.831237  0.545155  0.704048  1
  Cu  Cu136  1  0.831616  0.674384  0.726813  1
  Cu  Cu137  1  0.843683  0.041680  0.703297  1
  Cu  Cu138  1  0.831353  0.412281  0.678056  1
  Cu  Cu139  1  0.162704  0.856230  0.714603  1
  Cu  Cu140  1  0.166191  0.226966  0.690530  1
  Cu  Cu141  1  0.162849  0.599925  0.665245  1
  Cu  Cu142  1  0.166016  0.729949  0.690755  1
  Cu  Cu143  1  0.168885  0.098493  0.665125  1
  Cu  Cu144  1  0.170387  0.356508  0.716056  1
