# generated using pymatgen
data_Al3Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.14861227
_cell_length_b   23.12019104
_cell_length_c   46.31631507
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   82.29111757
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Cu
_chemical_formula_sum   'Al243 Cu81'
_cell_volume   10769.3443081
_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  0.656287  0.727361  0.280539  1
  Al  Al2  1  0.989620  0.394027  0.280539  1
  Al  Al3  1  0.897611  0.706837  0.311027  1
  Al  Al4  1  0.282303  0.716165  0.295457  1
  Al  Al5  1  0.615636  0.382832  0.295457  1
  Al  Al6  1  0.948970  0.049499  0.295457  1
  Al  Al7  1  0.322953  0.060694  0.280539  1
  Al  Al8  1  0.230944  0.373504  0.311027  1
  Al  Al9  1  0.564278  0.040170  0.311027  1
  Al  Al10  1  0.441256  0.806851  0.296916  1
  Al  Al11  1  0.774589  0.473517  0.296916  1
  Al  Al12  1  0.828020  0.812861  0.281782  1
  Al  Al13  1  0.064171  0.793099  0.313166  1
  Al  Al14  1  0.397505  0.459765  0.313166  1
  Al  Al15  1  0.730838  0.126432  0.313166  1
  Al  Al16  1  0.107923  0.140184  0.296916  1
  Al  Al17  1  0.161353  0.479528  0.281782  1
  Al  Al18  1  0.494687  0.146194  0.281782  1
  Al  Al19  1  0.497611  0.635807  0.280596  1
  Al  Al20  1  0.830945  0.302473  0.280596  1
  Al  Al21  1  0.731708  0.619352  0.311232  1
  Al  Al22  1  0.118029  0.627248  0.295812  1
  Al  Al23  1  0.451362  0.293915  0.295812  1
  Al  Al24  1  0.784695  0.960582  0.295812  1
  Al  Al25  1  0.164278  0.969140  0.280596  1
  Al  Al26  1  0.065041  0.286019  0.311232  1
  Al  Al27  1  0.398375  0.952685  0.311232  1
  Al  Al28  1  0.516601  0.703178  0.329576  1
  Al  Al29  1  0.849935  0.369845  0.329576  1
  Al  Al30  1  0.752644  0.687080  0.362599  1
  Al  Al31  1  0.133006  0.694676  0.346318  1
  Al  Al32  1  0.466339  0.361343  0.346318  1
  Al  Al33  1  0.799672  0.028010  0.346318  1
  Al  Al34  1  0.183268  0.036511  0.329576  1
  Al  Al35  1  0.085977  0.353747  0.362599  1
  Al  Al36  1  0.419311  0.020414  0.362599  1
  Al  Al37  1  0.299663  0.782084  0.346948  1
  Al  Al38  1  0.632996  0.448751  0.346948  1
  Al  Al39  1  0.683733  0.789164  0.330812  1
  Al  Al40  1  0.917430  0.774958  0.363353  1
  Al  Al41  1  0.250763  0.441625  0.363353  1
  Al  Al42  1  0.584097  0.108292  0.363353  1
  Al  Al43  1  0.966330  0.115417  0.346948  1
  Al  Al44  1  0.017066  0.455831  0.330812  1
  Al  Al45  1  0.350400  0.122498  0.330812  1
  Al  Al46  1  0.350250  0.617116  0.330773  1
  Al  Al47  1  0.683584  0.283782  0.330773  1
  Al  Al48  1  0.587213  0.600369  0.362914  1
  Al  Al49  1  0.969483  0.607744  0.346614  1
  Al  Al50  1  0.302816  0.274411  0.346614  1
  Al  Al51  1  0.636150  0.941077  0.346614  1
  Al  Al52  1  0.016917  0.950449  0.330773  1
  Al  Al53  1  0.920547  0.267036  0.362914  1
  Al  Al54  1  0.253880  0.933702  0.362914  1
  Al  Al55  1  0.369802  0.681999  0.380719  1
  Al  Al56  1  0.703135  0.348665  0.380719  1
  Al  Al57  1  0.605338  0.667202  0.413557  1
  Al  Al58  1  0.986837  0.674375  0.397111  1
  Al  Al59  1  0.320170  0.341042  0.397111  1
  Al  Al60  1  0.653504  0.007708  0.397111  1
  Al  Al61  1  0.036468  0.015332  0.380719  1
  Al  Al62  1  0.938672  0.333868  0.413557  1
  Al  Al63  1  0.272005  1.000535  0.413557  1
  Al  Al64  1  0.151631  0.762640  0.397220  1
  Al  Al65  1  0.484964  0.429307  0.397220  1
  Al  Al66  1  0.535656  0.769351  0.380675  1
  Al  Al67  1  0.769769  0.755268  0.413849  1
  Al  Al68  1  0.103102  0.421935  0.413849  1
  Al  Al69  1  0.436435  0.088602  0.413849  1
  Al  Al70  1  0.818298  0.095974  0.397220  1
  Al  Al71  1  0.868989  0.436018  0.380675  1
  Al  Al72  1  0.202323  0.102684  0.380675  1
  Al  Al73  1  0.204724  0.593471  0.380130  1
  Al  Al74  1  0.538058  0.260138  0.380130  1
  Al  Al75  1  0.439762  0.578468  0.412729  1
  Al  Al76  1  0.822423  0.585668  0.396385  1
  Al  Al77  1  0.155756  0.252335  0.396385  1
  Al  Al78  1  0.489089  0.919002  0.396385  1
  Al  Al79  1  0.871391  0.926804  0.380130  1
  Al  Al80  1  0.773096  0.245135  0.412729  1
  Al  Al81  1  0.106429  0.911801  0.412729  1
  Al  Al82  1  0.222141  0.660692  0.430571  1
  Al  Al83  1  0.555474  0.327359  0.430571  1
  Al  Al84  1  0.457263  0.646362  0.463595  1
  Al  Al85  1  0.839568  0.653412  0.447123  1
  Al  Al86  1  0.172901  0.320078  0.447123  1
  Al  Al87  1  0.506234  0.986745  0.447123  1
  Al  Al88  1  0.888807  0.994026  0.430571  1
  Al  Al89  1  0.790596  0.313028  0.463595  1
  Al  Al90  1  0.123930  0.979695  0.463595  1
  Al  Al91  1  0.004425  0.741895  0.447624  1
  Al  Al92  1  0.337759  0.408561  0.447624  1
  Al  Al93  1  0.387292  0.749074  0.430977  1
  Al  Al94  1  0.622203  0.734730  0.464264  1
  Al  Al95  1  0.955537  0.401397  0.464264  1
  Al  Al96  1  0.288870  0.068064  0.464264  1
  Al  Al97  1  0.671092  0.075228  0.447624  1
  Al  Al98  1  0.720625  0.415741  0.430977  1
  Al  Al99  1  0.053959  0.082408  0.430977  1
  Al  Al100  1  0.057128  0.571983  0.429786  1
  Al  Al101  1  0.390461  0.238650  0.429786  1
  Al  Al102  1  0.291896  0.557928  0.462928  1
  Al  Al103  1  0.674543  0.564742  0.446272  1
  Al  Al104  1  0.007876  0.231409  0.446272  1
  Al  Al105  1  0.341210  0.898075  0.446272  1
  Al  Al106  1  0.723795  0.905316  0.429786  1
  Al  Al107  1  0.625229  0.224595  0.462928  1
  Al  Al108  1  0.958562  0.891262  0.462928  1
  Al  Al109  1  0.074477  0.639732  0.480570  1
  Al  Al110  1  0.407810  0.306398  0.480570  1
  Al  Al111  1  0.309539  0.625685  0.513747  1
  Al  Al112  1  0.692008  0.632708  0.497158  1
  Al  Al113  1  0.025342  0.299375  0.497158  1
  Al  Al114  1  0.358675  0.966042  0.497158  1
  Al  Al115  1  0.741144  0.973065  0.480570  1
  Al  Al116  1  0.642873  0.292351  0.513747  1
  Al  Al117  1  0.976206  0.959018  0.513747  1
  Al  Al118  1  0.857078  0.721131  0.497839  1
  Al  Al119  1  0.190411  0.387798  0.497839  1
  Al  Al120  1  0.239740  0.728109  0.481166  1
  Al  Al121  1  0.474630  0.714082  0.514448  1
  Al  Al122  1  0.807964  0.380749  0.514448  1
  Al  Al123  1  0.141297  0.047415  0.514448  1
  Al  Al124  1  0.523744  0.054465  0.497839  1
  Al  Al125  1  0.573074  0.394775  0.481166  1
  Al  Al126  1  0.906407  0.061442  0.481166  1
  Al  Al127  1  0.909386  0.551334  0.479868  1
  Al  Al128  1  0.242719  0.218001  0.479868  1
  Al  Al129  1  0.144276  0.537308  0.513150  1
  Al  Al130  1  0.526939  0.544285  0.496477  1
  Al  Al131  1  0.860272  0.210952  0.496477  1
  Al  Al132  1  0.193605  0.877618  0.496477  1
  Al  Al133  1  0.576053  0.884668  0.479868  1
  Al  Al134  1  0.477609  0.203975  0.513150  1
  Al  Al135  1  0.810943  0.870641  0.513150  1
  Al  Al136  1  0.926753  0.619055  0.530722  1
  Al  Al137  1  0.260087  0.285721  0.530722  1
  Al  Al138  1  0.161876  0.604724  0.563745  1
  Al  Al139  1  0.544449  0.612005  0.547193  1
  Al  Al140  1  0.877782  0.278672  0.547193  1
  Al  Al141  1  0.211115  0.945338  0.547193  1
  Al  Al142  1  0.593420  0.952388  0.530722  1
  Al  Al143  1  0.495209  0.271391  0.563745  1
  Al  Al144  1  0.828542  0.938057  0.563745  1
  Al  Al145  1  0.709473  0.700674  0.548045  1
  Al  Al146  1  0.042807  0.367341  0.548045  1
  Al  Al147  1  0.092121  0.707488  0.531389  1
  Al  Al148  1  0.326889  0.693433  0.564530  1
  Al  Al149  1  0.660222  0.360100  0.564530  1
  Al  Al150  1  0.993555  0.026767  0.564530  1
  Al  Al151  1  0.376140  0.034008  0.548045  1
  Al  Al152  1  0.425454  0.374155  0.531389  1
  Al  Al153  1  0.758787  0.040821  0.531389  1
  Al  Al154  1  0.761813  0.530686  0.530052  1
  Al  Al155  1  0.095146  0.197353  0.530052  1
  Al  Al156  1  0.996724  0.516342  0.563340  1
  Al  Al157  1  0.379591  0.523522  0.546692  1
  Al  Al158  1  0.712924  0.190189  0.546692  1
  Al  Al159  1  0.046258  0.856855  0.546692  1
  Al  Al160  1  0.428480  0.864019  0.530052  1
  Al  Al161  1  0.330058  0.183009  0.563340  1
  Al  Al162  1  0.663391  0.849675  0.563340  1
  Al  Al163  1  0.778678  0.598215  0.580759  1
  Al  Al164  1  0.112011  0.264881  0.580759  1
  Al  Al165  1  0.014215  0.583418  0.613598  1
  Al  Al166  1  0.397179  0.591041  0.597206  1
  Al  Al167  1  0.730513  0.257708  0.597206  1
  Al  Al168  1  0.063846  0.924375  0.597206  1
  Al  Al169  1  0.445345  0.931548  0.580759  1
  Al  Al170  1  0.347548  0.250084  0.613598  1
  Al  Al171  1  0.680881  0.916751  0.613598  1
  Al  Al172  1  0.561594  0.679748  0.597932  1
  Al  Al173  1  0.894927  0.346415  0.597932  1
  Al  Al174  1  0.944254  0.686948  0.581588  1
  Al  Al175  1  0.179292  0.671945  0.614187  1
  Al  Al176  1  0.512625  0.338612  0.614187  1
  Al  Al177  1  0.845959  1.005279  0.614187  1
  Al  Al178  1  0.228260  0.013081  0.597932  1
  Al  Al179  1  0.277587  0.353615  0.581588  1
  Al  Al180  1  0.610921  0.020282  0.581588  1
  Al  Al181  1  0.614248  0.510148  0.580467  1
  Al  Al182  1  0.947581  0.176815  0.580467  1
  Al  Al183  1  0.848360  0.496065  0.613642  1
  Al  Al184  1  0.232385  0.502776  0.597096  1
  Al  Al185  1  0.565719  0.169443  0.597096  1
  Al  Al186  1  0.899052  0.836110  0.597096  1
  Al  Al187  1  0.280914  0.843482  0.580467  1
  Al  Al188  1  0.181694  0.162732  0.613642  1
  Al  Al189  1  0.515027  0.829399  0.613642  1
  Al  Al190  1  0.631372  0.578336  0.631717  1
  Al  Al191  1  0.964706  0.245003  0.631717  1
  Al  Al192  1  0.867415  0.562238  0.664741  1
  Al  Al193  1  0.251011  0.570740  0.647999  1
  Al  Al194  1  0.584344  0.237407  0.647999  1
  Al  Al195  1  0.917677  0.904073  0.647999  1
  Al  Al196  1  0.298039  0.911669  0.631717  1
  Al  Al197  1  0.200749  0.228905  0.664741  1
  Al  Al198  1  0.534082  0.895572  0.664741  1
  Al  Al199  1  0.414533  0.657673  0.647703  1
  Al  Al200  1  0.747867  0.324339  0.647703  1
  Al  Al201  1  0.796803  0.665047  0.631403  1
  Al  Al202  1  0.033766  0.648301  0.663543  1
  Al  Al203  1  0.367099  0.314967  0.663543  1
  Al  Al204  1  0.700433  0.981634  0.663543  1
  Al  Al205  1  0.081200  0.991006  0.647703  1
  Al  Al206  1  0.130136  0.331714  0.631403  1
  Al  Al207  1  0.463470  0.998381  0.631403  1
  Al  Al208  1  0.466586  0.490458  0.630963  1
  Al  Al209  1  0.799920  0.157125  0.630963  1
  Al  Al210  1  0.700283  0.476252  0.663505  1
  Al  Al211  1  0.084353  0.483333  0.647368  1
  Al  Al212  1  0.417687  0.149999  0.647368  1
  Al  Al213  1  0.751020  0.816666  0.647368  1
  Al  Al214  1  0.133253  0.823792  0.630963  1
  Al  Al215  1  0.033617  0.142919  0.663505  1
  Al  Al216  1  0.366950  0.809585  0.663505  1
  Al  Al217  1  0.486405  0.558579  0.683289  1
  Al  Al218  1  0.819739  0.225246  0.683289  1
  Al  Al219  1  0.727730  0.538056  0.713778  1
  Al  Al220  1  0.101713  0.549251  0.698860  1
  Al  Al221  1  0.435047  0.215918  0.698860  1
  Al  Al222  1  0.768380  0.882584  0.698860  1
  Al  Al223  1  0.153072  0.891913  0.683289  1
  Al  Al224  1  0.061063  0.204722  0.713778  1
  Al  Al225  1  0.394396  0.871389  0.713778  1
  Al  Al226  1  0.265988  0.638168  0.698505  1
  Al  Al227  1  0.599321  0.304835  0.698505  1
  Al  Al228  1  0.652308  0.646064  0.683084  1
  Al  Al229  1  0.886405  0.629610  0.713720  1
  Al  Al230  1  0.219738  0.296276  0.713720  1
  Al  Al231  1  0.553072  0.962943  0.713720  1
  Al  Al232  1  0.932654  0.971501  0.698505  1
  Al  Al233  1  0.985642  0.312731  0.683084  1
  Al  Al234  1  0.318975  0.979398  0.683084  1
  Al  Al235  1  0.319845  0.472318  0.681150  1
  Al  Al236  1  0.653178  0.138984  0.681150  1
  Al  Al237  1  0.555996  0.452556  0.712534  1
  Al  Al238  1  0.942760  0.458566  0.697401  1
  Al  Al239  1  0.276094  0.125232  0.697401  1
  Al  Al240  1  0.609427  0.791899  0.697401  1
  Al  Al241  1  0.986512  0.805651  0.681150  1
  Al  Al242  1  0.889330  0.119222  0.712534  1
  Al  Al243  1  0.222663  0.785889  0.712534  1
  Cu  Cu244  1  0.559202  0.541611  0.315077  1
  Cu  Cu245  1  0.892535  0.208278  0.315077  1
  Cu  Cu246  1  0.951299  0.548417  0.299588  1
  Cu  Cu247  1  0.335031  0.555723  0.284716  1
  Cu  Cu248  1  0.668364  0.222390  0.284716  1
  Cu  Cu249  1  0.001697  0.889056  0.284716  1
  Cu  Cu250  1  0.225869  0.874944  0.315077  1
  Cu  Cu251  1  0.284633  0.215084  0.299588  1
  Cu  Cu252  1  0.617966  0.881751  0.299588  1
  Cu  Cu253  1  0.417490  0.520994  0.362795  1
  Cu  Cu254  1  0.750823  0.187661  0.362795  1
  Cu  Cu255  1  0.800997  0.528275  0.346919  1
  Cu  Cu256  1  0.186091  0.535706  0.331060  1
  Cu  Cu257  1  0.519424  0.202372  0.331060  1
  Cu  Cu258  1  0.852758  0.869039  0.331060  1
  Cu  Cu259  1  0.084157  0.854328  0.362795  1
  Cu  Cu260  1  0.134330  0.194941  0.346919  1
  Cu  Cu261  1  0.467663  0.861608  0.346919  1
  Cu  Cu262  1  0.270752  0.500163  0.413175  1
  Cu  Cu263  1  0.604085  0.166830  0.413175  1
  Cu  Cu264  1  0.653815  0.507247  0.396425  1
  Cu  Cu265  1  0.037479  0.514512  0.380013  1
  Cu  Cu266  1  0.370813  0.181179  0.380013  1
  Cu  Cu267  1  0.704146  0.847845  0.380013  1
  Cu  Cu268  1  0.937418  0.833496  0.413175  1
  Cu  Cu269  1  0.987149  0.173913  0.396425  1
  Cu  Cu270  1  0.320482  0.840580  0.396425  1
  Cu  Cu271  1  0.123409  0.479644  0.463582  1
  Cu  Cu272  1  0.456742  0.146310  0.463582  1
  Cu  Cu273  1  0.506051  0.486609  0.446909  1
  Cu  Cu274  1  0.889466  0.493549  0.430262  1
  Cu  Cu275  1  0.222800  0.160215  0.430262  1
  Cu  Cu276  1  0.556133  0.826882  0.430262  1
  Cu  Cu277  1  0.790075  0.812977  0.463582  1
  Cu  Cu278  1  0.839384  0.153276  0.446909  1
  Cu  Cu279  1  0.172717  0.819942  0.446909  1
  Cu  Cu280  1  0.975858  0.459091  0.513787  1
  Cu  Cu281  1  0.309191  0.125758  0.513787  1
  Cu  Cu282  1  0.358675  0.466042  0.497158  1
  Cu  Cu283  1  0.741492  0.472992  0.480529  1
  Cu  Cu284  1  0.074825  0.139658  0.480529  1
  Cu  Cu285  1  0.408159  0.806325  0.480529  1
  Cu  Cu286  1  0.642524  0.792425  0.513787  1
  Cu  Cu287  1  0.692008  0.132708  0.497158  1
  Cu  Cu288  1  0.025342  0.799375  0.497158  1
  Cu  Cu289  1  0.827883  0.438534  0.564055  1
  Cu  Cu290  1  0.161217  0.105201  0.564055  1
  Cu  Cu291  1  0.211299  0.445474  0.547407  1
  Cu  Cu292  1  0.593941  0.452439  0.530734  1
  Cu  Cu293  1  0.927274  0.119106  0.530734  1
  Cu  Cu294  1  0.260608  0.785773  0.530734  1
  Cu  Cu295  1  0.494550  0.771868  0.564055  1
  Cu  Cu296  1  0.544632  0.112141  0.547407  1
  Cu  Cu297  1  0.877966  0.778807  0.547407  1
  Cu  Cu298  1  0.679870  0.417571  0.614303  1
  Cu  Cu299  1  0.013204  0.084238  0.614303  1
  Cu  Cu300  1  0.063534  0.424836  0.597891  1
  Cu  Cu301  1  0.446598  0.431920  0.581142  1
  Cu  Cu302  1  0.779931  0.098587  0.581142  1
  Cu  Cu303  1  0.113265  0.765253  0.581142  1
  Cu  Cu304  1  0.346537  0.750904  0.614303  1
  Cu  Cu305  1  0.396868  0.091503  0.597891  1
  Cu  Cu306  1  0.730201  0.758170  0.597891  1
  Cu  Cu307  1  0.531259  0.396378  0.663257  1
  Cu  Cu308  1  0.864592  0.063044  0.663257  1
  Cu  Cu309  1  0.916353  0.403808  0.647398  1
  Cu  Cu310  1  0.299860  0.411089  0.631522  1
  Cu  Cu311  1  0.633193  0.077755  0.631522  1
  Cu  Cu312  1  0.966526  0.744422  0.631522  1
  Cu  Cu313  1  0.197925  0.729711  0.663257  1
  Cu  Cu314  1  0.249686  0.070475  0.647398  1
  Cu  Cu315  1  0.583020  0.737142  0.647398  1
  Cu  Cu316  1  0.382319  0.376360  0.709600  1
  Cu  Cu317  1  0.715652  0.043027  0.709600  1
  Cu  Cu318  1  0.766050  0.383666  0.694729  1
  Cu  Cu319  1  0.158148  0.390472  0.679239  1
  Cu  Cu320  1  0.491481  0.057139  0.679239  1
  Cu  Cu321  1  0.824814  0.723805  0.679239  1
  Cu  Cu322  1  0.048986  0.709694  0.709600  1
  Cu  Cu323  1  0.099384  0.050332  0.694729  1
  Cu  Cu324  1  0.432717  0.716999  0.694729  1
