# generated using pymatgen
data_Al2Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   17.92356098
_cell_length_b   13.95259565
_cell_length_c   48.97630713
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   129.89792112
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2Cu
_chemical_formula_sum   'Al162 Cu81'
_cell_volume   9396.52738808
_cell_formula_units_Z   81
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  0.551031  0.385635  0.317464  1
  Al  Al2  1  0.181048  0.336491  0.317329  1
  Al  Al3  1  0.363592  0.183406  0.326016  1
  Al  Al4  1  0.720057  0.195172  0.338743  1
  Al  Al5  1  0.993222  0.204602  0.328671  1
  Al  Al6  1  0.901173  0.829313  0.332022  1
  Al  Al7  1  0.528287  0.014561  0.359592  1
  Al  Al8  1  0.490315  0.682767  0.334470  1
  Al  Al9  1  0.212441  0.672501  0.334701  1
  Al  Al10  1  0.862500  0.460786  0.357583  1
  Al  Al11  1  0.586113  0.462911  0.367730  1
  Al  Al12  1  0.398823  0.017231  0.322084  1
  Al  Al13  1  0.105359  0.452183  0.308527  1
  Al  Al14  1  0.182579  0.028374  0.347946  1
  Al  Al15  1  0.058288  0.871222  0.310024  1
  Al  Al16  1  0.808383  0.091783  0.345079  1
  Al  Al17  1  0.776426  0.871790  0.321620  1
  Al  Al18  1  0.426367  0.842956  0.318803  1
  Al  Al19  1  0.736307  0.580834  0.332471  1
  Al  Al20  1  0.318788  0.488932  0.357097  1
  Al  Al21  1  0.393591  0.267860  0.378308  1
  Al  Al22  1  0.037523  0.610347  0.333614  1
  Al  Al23  1  0.984287  0.248924  0.385411  1
  Al  Al24  1  0.025406  0.955876  0.375213  1
  Al  Al25  1  0.661936  0.232631  0.386112  1
  Al  Al26  1  0.684510  0.855442  0.365252  1
  Al  Al27  1  0.340118  0.871696  0.365456  1
  Al  Al28  1  0.867644  0.692350  0.377706  1
  Al  Al29  1  0.542737  0.607877  0.380637  1
  Al  Al30  1  0.509370  0.211406  0.357491  1
  Al  Al31  1  0.148756  0.443948  0.360933  1
  Al  Al32  1  0.258820  0.260609  0.347379  1
  Al  Al33  1  0.152775  0.753870  0.377263  1
  Al  Al34  1  0.841124  0.262108  0.381649  1
  Al  Al35  1  0.901452  0.999515  0.363292  1
  Al  Al36  1  0.519172  0.781503  0.386113  1
  Al  Al37  1  0.685471  0.584335  0.413725  1
  Al  Al38  1  0.335015  0.585716  0.407997  1
  Al  Al39  1  0.491557  0.436587  0.424410  1
  Al  Al40  1  0.987683  0.656515  0.401779  1
  Al  Al41  1  0.118906  0.439122  0.422335  1
  Al  Al42  1  0.205494  0.161535  0.399044  1
  Al  Al43  1  0.837724  0.418799  0.410513  1
  Al  Al44  1  0.812244  0.030045  0.403825  1
  Al  Al45  1  0.456879  0.065046  0.402968  1
  Al  Al46  1  0.988920  0.847206  0.424295  1
  Al  Al47  1  0.679754  0.784771  0.418771  1
  Al  Al48  1  0.687366  0.362347  0.435220  1
  Al  Al49  1  0.227072  0.648653  0.392348  1
  Al  Al50  1  0.312961  0.340354  0.445354  1
  Al  Al51  1  0.328080  0.109653  0.420026  1
  Al  Al52  1  0.950639  0.379966  0.430869  1
  Al  Al53  1  0.013020  0.078071  0.414292  1
  Al  Al54  1  0.615497  0.916736  0.429900  1
  Al  Al55  1  0.800969  0.730740  0.454436  1
  Al  Al56  1  0.436547  0.751247  0.452860  1
  Al  Al57  1  0.612018  0.629223  0.460961  1
  Al  Al58  1  0.112003  0.812232  0.444893  1
  Al  Al59  1  0.263167  0.670055  0.446327  1
  Al  Al60  1  0.123558  0.210268  0.456545  1
  Al  Al61  1  0.942860  0.552060  0.456779  1
  Al  Al62  1  0.755348  0.026682  0.470145  1
  Al  Al63  1  0.501617  0.177422  0.452037  1
  Al  Al64  1  0.146670  0.932608  0.491761  1
  Al  Al65  1  0.750047  0.846388  0.495940  1
  Al  Al66  1  0.785651  0.529429  0.479827  1
  Al  Al67  1  0.273745  0.866221  0.419881  1
  Al  Al68  1  0.416649  0.559764  0.477455  1
  Al  Al69  1  0.400425  0.249738  0.463759  1
  Al  Al70  1  0.080466  0.515891  0.475213  1
  Al  Al71  1  0.963278  0.198668  0.441189  1
  Al  Al72  1  0.604522  0.104857  0.433312  1
  Al  Al73  1  0.990265  0.960413  0.469325  1
  Al  Al74  1  0.572835  0.983829  0.479511  1
  Al  Al75  1  0.572098  0.669970  0.521420  1
  Al  Al76  1  0.311195  0.997434  0.467749  1
  Al  Al77  1  0.164704  0.637270  0.526379  1
  Al  Al78  1  0.248952  0.368410  0.499873  1
  Al  Al79  1  0.903789  0.644126  0.527269  1
  Al  Al80  1  0.898245  0.265611  0.480673  1
  Al  Al81  1  0.534043  0.303178  0.509547  1
  Al  Al82  1  0.193384  0.079862  0.537376  1
  Al  Al83  1  0.833611  0.101594  0.525249  1
  Al  Al84  1  0.850275  0.766589  0.505126  1
  Al  Al85  1  0.354993  0.826202  0.504021  1
  Al  Al86  1  0.461675  0.752256  0.507763  1
  Al  Al87  1  0.477744  0.442926  0.494680  1
  Al  Al88  1  0.047674  0.669944  0.501357  1
  Al  Al89  1  0.085877  0.336776  0.489557  1
  Al  Al90  1  0.657752  0.280640  0.487527  1
  Al  Al91  1  0.082969  0.128439  0.509983  1
  Al  Al92  1  0.727214  0.171204  0.510028  1
  Al  Al93  1  0.715171  0.878467  0.553287  1
  Al  Al94  1  0.344955  0.125619  0.513296  1
  Al  Al95  1  0.288514  0.817692  0.561951  1
  Al  Al96  1  0.381411  0.537920  0.535580  1
  Al  Al97  1  0.913510  0.792704  0.565564  1
  Al  Al98  1  0.985548  0.393326  0.524336  1
  Al  Al99  1  0.713306  0.456581  0.532708  1
  Al  Al100  1  0.195370  0.285045  0.551693  1
  Al  Al101  1  0.899334  0.247623  0.569027  1
  Al  Al102  1  0.893515  0.960826  0.536064  1
  Al  Al103  1  0.429053  0.051243  0.543981  1
  Al  Al104  1  0.523192  0.959534  0.536848  1
  Al  Al105  1  0.561457  0.477717  0.546093  1
  Al  Al106  1  0.093513  0.807464  0.547234  1
  Al  Al107  1  0.179569  0.459483  0.540524  1
  Al  Al108  1  0.787670  0.313800  0.557177  1
  Al  Al109  1  0.944383  0.097010  0.586020  1
  Al  Al110  1  0.588660  0.109826  0.585282  1
  Al  Al111  1  0.768246  0.001116  0.598600  1
  Al  Al112  1  0.281878  0.220224  0.581469  1
  Al  Al113  1  0.403233  0.019230  0.596155  1
  Al  Al114  1  0.525394  0.775603  0.563186  1
  Al  Al115  1  0.114321  0.962357  0.586260  1
  Al  Al116  1  0.125057  0.692636  0.587690  1
  Al  Al117  1  0.709122  0.579118  0.581727  1
  Al  Al118  1  0.295567  0.475408  0.585339  1
  Al  Al119  1  0.924903  0.444400  0.599704  1
  Al  Al120  1  0.984960  0.963273  0.613720  1
  Al  Al121  1  0.437246  0.241971  0.561522  1
  Al  Al122  1  0.594310  0.933628  0.610037  1
  Al  Al123  1  0.610838  0.668428  0.585995  1
  Al  Al124  1  0.203255  0.906324  0.616515  1
  Al  Al125  1  0.248020  0.616919  0.595247  1
  Al  Al126  1  0.823667  0.520862  0.578046  1
  Al  Al127  1  0.100686  0.345530  0.593396  1
  Al  Al128  1  0.723631  0.321486  0.612694  1
  Al  Al129  1  0.933268  0.255675  0.622266  1
  Al  Al130  1  0.349860  0.376300  0.624628  1
  Al  Al131  1  0.534874  0.226041  0.626782  1
  Al  Al132  1  0.407462  0.752839  0.632879  1
  Al  Al133  1  0.066521  0.027388  0.670112  1
  Al  Al134  1  0.062323  0.675253  0.641975  1
  Al  Al135  1  0.702379  0.668907  0.634698  1
  Al  Al136  1  0.351029  0.435678  0.680739  1
  Al  Al137  1  0.045675  0.501164  0.675119  1
  Al  Al138  1  0.000704  0.138528  0.640763  1
  Al  Al139  1  0.521140  0.405450  0.606182  1
  Al  Al140  1  0.667968  0.139872  0.650774  1
  Al  Al141  1  0.639406  0.801401  0.633557  1
  Al  Al142  1  0.208178  0.108371  0.632800  1
  Al  Al143  1  0.283550  0.802529  0.625177  1
  Al  Al144  1  0.860438  0.713155  0.617867  1
  Al  Al145  1  0.291297  0.507740  0.639089  1
  Al  Al146  1  0.874664  0.546485  0.634635  1
  Al  Al147  1  0.933333  0.245997  0.678860  1
  Al  Al148  1  0.521273  0.516217  0.651518  1
  Al  Al149  1  0.398840  0.154425  0.695330  1
  Al  Al150  1  0.560614  0.899232  0.666881  1
  Al  Al151  1  0.063810  0.208650  0.693520  1
  Al  Al152  1  0.356056  0.026401  0.651405  1
  Al  Al153  1  0.883246  0.828870  0.665498  1
  Al  Al154  1  0.372322  0.677452  0.689191  1
  Al  Al155  1  0.204531  0.783468  0.677380  1
  Al  Al156  1  0.102564  0.376996  0.649898  1
  Al  Al157  1  0.579957  0.378974  0.670436  1
  Al  Al158  1  0.718557  0.356202  0.667920  1
  Al  Al159  1  0.768907  0.054959  0.651918  1
  Al  Al160  1  0.261402  0.186064  0.686204  1
  Al  Al161  1  0.392218  0.879518  0.676617  1
  Al  Al162  1  0.980091  0.740091  0.679525  1
  Cu  Cu163  1  0.685333  0.358520  0.338646  1
  Cu  Cu164  1  0.442944  0.442337  0.341267  1
  Cu  Cu165  1  0.204719  0.868563  0.330858  1
  Cu  Cu166  1  0.960412  0.362903  0.341210  1
  Cu  Cu167  1  0.063138  0.071087  0.327295  1
  Cu  Cu168  1  0.903566  0.638618  0.326242  1
  Cu  Cu169  1  0.606176  0.930011  0.337230  1
  Cu  Cu170  1  0.616153  0.636393  0.330522  1
  Cu  Cu171  1  0.299539  0.589545  0.316406  1
  Cu  Cu172  1  0.723897  0.459880  0.384688  1
  Cu  Cu173  1  0.361834  0.416609  0.395458  1
  Cu  Cu174  1  0.313132  0.027953  0.370476  1
  Cu  Cu175  1  0.028603  0.498859  0.382820  1
  Cu  Cu176  1  0.100200  0.206789  0.367041  1
  Cu  Cu177  1  0.039611  0.789496  0.357606  1
  Cu  Cu178  1  0.670024  0.038162  0.384267  1
  Cu  Cu179  1  0.739623  0.725142  0.367923  1
  Cu  Cu180  1  0.367833  0.710198  0.360994  1
  Cu  Cu181  1  0.838978  0.603367  0.428767  1
  Cu  Cu182  1  0.487546  0.627025  0.428651  1
  Cu  Cu183  1  0.541919  0.307745  0.407635  1
  Cu  Cu184  1  0.102805  0.626571  0.427875  1
  Cu  Cu185  1  0.190324  0.336670  0.407415  1
  Cu  Cu186  1  0.153985  0.930617  0.398324  1
  Cu  Cu187  1  0.775399  0.160098  0.429101  1
  Cu  Cu188  1  0.851035  0.846979  0.405989  1
  Cu  Cu189  1  0.426536  0.850434  0.407319  1
  Cu  Cu190  1  0.962009  0.749101  0.474572  1
  Cu  Cu191  1  0.592256  0.789670  0.472328  1
  Cu  Cu192  1  0.601035  0.427962  0.460289  1
  Cu  Cu193  1  0.205266  0.761600  0.474491  1
  Cu  Cu194  1  0.247924  0.465965  0.453632  1
  Cu  Cu195  1  0.165599  0.048000  0.445426  1
  Cu  Cu196  1  0.789417  0.309040  0.460435  1
  Cu  Cu197  1  0.844744  0.948925  0.447893  1
  Cu  Cu198  1  0.414461  0.926245  0.453282  1
  Cu  Cu199  1  0.019062  0.903153  0.522635  1
  Cu  Cu200  1  0.645483  0.923666  0.515623  1
  Cu  Cu201  1  0.668877  0.570675  0.501337  1
  Cu  Cu202  1  0.247040  0.885205  0.518676  1
  Cu  Cu203  1  0.269376  0.586447  0.495727  1
  Cu  Cu204  1  0.242702  0.181436  0.487977  1
  Cu  Cu205  1  0.858719  0.429492  0.507009  1
  Cu  Cu206  1  0.932183  0.089375  0.488922  1
  Cu  Cu207  1  0.481313  0.067720  0.496043  1
  Cu  Cu208  1  0.049154  0.056192  0.562547  1
  Cu  Cu209  1  0.692671  0.057014  0.560014  1
  Cu  Cu210  1  0.732463  0.712940  0.542627  1
  Cu  Cu211  1  0.269978  1.000285  0.565654  1
  Cu  Cu212  1  0.342138  0.688804  0.547657  1
  Cu  Cu213  1  0.352392  0.319181  0.531728  1
  Cu  Cu214  1  0.976055  0.551401  0.551143  1
  Cu  Cu215  1  0.018470  0.223719  0.539501  1
  Cu  Cu216  1  0.614828  0.209557  0.537347  1
  Cu  Cu217  1  0.143567  0.206227  0.604650  1
  Cu  Cu218  1  0.763731  0.180675  0.605464  1
  Cu  Cu219  1  0.806478  0.836150  0.588194  1
  Cu  Cu220  1  0.358490  0.151069  0.608959  1
  Cu  Cu221  1  0.434583  0.856762  0.585501  1
  Cu  Cu222  1  0.432768  0.462617  0.574740  1
  Cu  Cu223  1  0.994813  0.711314  0.594091  1
  Cu  Cu224  1  0.069894  0.482293  0.570809  1
  Cu  Cu225  1  0.611388  0.327888  0.577393  1
  Cu  Cu226  1  0.187732  0.270451  0.654424  1
  Cu  Cu227  1  0.861243  0.342455  0.648774  1
  Cu  Cu228  1  0.827952  0.924413  0.634020  1
  Cu  Cu229  1  0.402717  0.263117  0.651622  1
  Cu  Cu230  1  0.491298  0.994413  0.632582  1
  Cu  Cu231  1  0.464053  0.634772  0.608614  1
  Cu  Cu232  1  0.042716  0.852854  0.635397  1
  Cu  Cu233  1  0.086455  0.519189  0.622666  1
  Cu  Cu234  1  0.689473  0.468322  0.625934  1
  Cu  Cu235  1  0.212960  0.448930  0.690330  1
  Cu  Cu236  1  0.906377  0.510776  0.682786  1
  Cu  Cu237  1  0.881796  0.015882  0.680802  1
  Cu  Cu238  1  0.452617  0.376265  0.697242  1
  Cu  Cu239  1  0.530144  0.138209  0.674191  1
  Cu  Cu240  1  0.477123  0.657359  0.659504  1
  Cu  Cu241  1  0.182151  0.950797  0.669539  1
  Cu  Cu242  1  0.228505  0.623752  0.658402  1
  Cu  Cu243  1  0.784392  0.588364  0.668469  1
