# generated using pymatgen
data_Al3Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.94163579
_cell_length_b   23.18353135
_cell_length_c   47.57259853
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   80.15430231
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Cu
_chemical_formula_sum   'Al198 Cu66'
_cell_volume   8629.83506455
_cell_formula_units_Z   66
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  0.022040  0.733335  0.291967  1
  Al  Al2  1  0.522471  0.732429  0.291920  1
  Al  Al3  1  0.101822  0.071565  0.278640  1
  Al  Al4  1  0.180980  0.415314  0.266820  1
  Al  Al5  1  0.603989  0.071564  0.278639  1
  Al  Al6  1  0.447507  0.391469  0.304600  1
  Al  Al7  1  0.728980  0.818171  0.299432  1
  Al  Al8  1  0.230236  0.818175  0.299432  1
  Al  Al9  1  0.810354  0.156660  0.286436  1
  Al  Al10  1  0.888577  0.496969  0.273819  1
  Al  Al11  1  0.310978  0.155385  0.286201  1
  Al  Al12  1  0.391759  0.496987  0.273802  1
  Al  Al13  1  0.817191  0.647108  0.285711  1
  Al  Al14  1  0.313148  0.647110  0.285708  1
  Al  Al15  1  0.895912  0.985527  0.273840  1
  Al  Al16  1  0.736307  0.304795  0.298613  1
  Al  Al17  1  0.395643  0.986057  0.273855  1
  Al  Al18  1  0.234924  0.307583  0.297755  1
  Al  Al19  1  0.780141  0.718018  0.333919  1
  Al  Al20  1  0.279273  0.718013  0.333915  1
  Al  Al21  1  0.861207  0.054961  0.320428  1
  Al  Al22  1  0.938392  0.391485  0.304603  1
  Al  Al23  1  0.361292  0.054803  0.320437  1
  Al  Al24  1  0.200348  0.376734  0.347109  1
  Al  Al25  1  0.488171  0.800978  0.341773  1
  Al  Al26  1  0.988082  0.801145  0.341861  1
  Al  Al27  1  0.569135  0.138721  0.328401  1
  Al  Al28  1  0.650183  0.477066  0.313926  1
  Al  Al29  1  0.069528  0.138714  0.328400  1
  Al  Al30  1  0.149897  0.477580  0.314950  1
  Al  Al31  1  0.571523  0.634350  0.328286  1
  Al  Al32  1  0.071880  0.633607  0.328034  1
  Al  Al33  1  0.654696  0.968340  0.312504  1
  Al  Al34  1  0.492078  0.292991  0.341235  1
  Al  Al35  1  0.154343  0.968335  0.312502  1
  Al  Al36  1  0.992382  0.292993  0.341240  1
  Al  Al37  1  0.537624  0.702146  0.376919  1
  Al  Al38  1  0.037734  0.701932  0.376827  1
  Al  Al39  1  0.619355  0.038523  0.362431  1
  Al  Al40  1  0.700333  0.376718  0.347696  1
  Al  Al41  1  0.119506  0.038524  0.362431  1
  Al  Al42  1  0.957897  0.362579  0.390020  1
  Al  Al43  1  0.245147  0.786941  0.383932  1
  Al  Al44  1  0.745368  0.786935  0.383931  1
  Al  Al45  1  0.326286  0.124810  0.369959  1
  Al  Al46  1  0.408246  0.462530  0.355238  1
  Al  Al47  1  0.826451  0.124470  0.370067  1
  Al  Al48  1  0.906598  0.462547  0.355244  1
  Al  Al49  1  0.330520  0.616598  0.369400  1
  Al  Al50  1  0.830344  0.616568  0.369404  1
  Al  Al51  1  0.411710  0.954032  0.355310  1
  Al  Al52  1  0.250376  0.276666  0.382805  1
  Al  Al53  1  0.911723  0.953975  0.355269  1
  Al  Al54  1  0.750341  0.276724  0.382926  1
  Al  Al55  1  0.295842  0.685947  0.418559  1
  Al  Al56  1  0.795653  0.685945  0.418553  1
  Al  Al57  1  0.376729  0.023952  0.404458  1
  Al  Al58  1  0.456951  0.362587  0.390021  1
  Al  Al59  1  0.876821  0.023831  0.404482  1
  Al  Al60  1  0.715083  0.347194  0.431800  1
  Al  Al61  1  0.002799  0.771769  0.425862  1
  Al  Al62  1  0.502721  0.771880  0.425903  1
  Al  Al63  1  0.083888  0.109799  0.411639  1
  Al  Al64  1  0.164681  0.448062  0.396915  1
  Al  Al65  1  0.583706  0.109806  0.411642  1
  Al  Al66  1  0.664499  0.448328  0.397078  1
  Al  Al67  1  0.088742  0.599855  0.410732  1
  Al  Al68  1  0.588933  0.599554  0.410592  1
  Al  Al69  1  0.169844  0.937860  0.396966  1
  Al  Al70  1  0.008212  0.261125  0.424484  1
  Al  Al71  1  0.669707  0.937851  0.396960  1
  Al  Al72  1  0.508125  0.261124  0.424486  1
  Al  Al73  1  0.053657  0.670166  0.460084  1
  Al  Al74  1  0.553605  0.670099  0.460040  1
  Al  Al75  1  0.134400  0.008744  0.446206  1
  Al  Al76  1  0.215155  0.347120  0.431839  1
  Al  Al77  1  0.634270  0.008737  0.446197  1
  Al  Al78  1  0.472939  0.331567  0.473586  1
  Al  Al79  1  0.760619  0.756130  0.467618  1
  Al  Al80  1  0.260680  0.756142  0.467628  1
  Al  Al81  1  0.841419  0.094609  0.453550  1
  Al  Al82  1  0.922316  0.432955  0.439046  1
  Al  Al83  1  0.341342  0.094669  0.453565  1
  Al  Al84  1  0.422147  0.432979  0.439044  1
  Al  Al85  1  0.846696  0.584013  0.452250  1
  Al  Al86  1  0.346812  0.583995  0.452255  1
  Al  Al87  1  0.927404  0.922720  0.438706  1
  Al  Al88  1  0.765828  0.245814  0.466312  1
  Al  Al89  1  0.427394  0.922672  0.438679  1
  Al  Al90  1  0.265843  0.245764  0.466329  1
  Al  Al91  1  0.811338  0.654763  0.501766  1
  Al  Al92  1  0.311356  0.654749  0.501754  1
  Al  Al93  1  0.891915  0.993560  0.487986  1
  Al  Al94  1  0.972936  0.331562  0.473597  1
  Al  Al95  1  0.391951  0.993537  0.487981  1
  Al  Al96  1  0.230650  0.316141  0.515466  1
  Al  Al97  1  0.518360  0.740692  0.509356  1
  Al  Al98  1  0.018338  0.740724  0.509364  1
  Al  Al99  1  0.599034  0.079406  0.495459  1
  Al  Al100  1  0.680047  0.417310  0.480903  1
  Al  Al101  1  0.098968  0.079463  0.495493  1
  Al  Al102  1  0.180020  0.417354  0.480906  1
  Al  Al103  1  0.604326  0.568773  0.494047  1
  Al  Al104  1  0.104394  0.568712  0.494011  1
  Al  Al105  1  0.684911  0.907626  0.480524  1
  Al  Al106  1  0.523517  0.230459  0.508226  1
  Al  Al107  1  0.184934  0.907597  0.480510  1
  Al  Al108  1  0.023514  0.230421  0.508223  1
  Al  Al109  1  0.569035  0.639532  0.543474  1
  Al  Al110  1  0.068893  0.639520  0.543463  1
  Al  Al111  1  0.649727  0.978127  0.529746  1
  Al  Al112  1  0.730661  0.316132  0.515475  1
  Al  Al113  1  0.149672  0.978067  0.529702  1
  Al  Al114  1  0.988256  0.300906  0.557316  1
  Al  Al115  1  0.275904  0.725620  0.551205  1
  Al  Al116  1  0.775877  0.725655  0.551233  1
  Al  Al117  1  0.356637  0.064167  0.537357  1
  Al  Al118  1  0.437795  0.401818  0.522739  1
  Al  Al119  1  0.856543  0.064182  0.537350  1
  Al  Al120  1  0.937774  0.401874  0.522723  1
  Al  Al121  1  0.362024  0.553350  0.535748  1
  Al  Al122  1  0.862103  0.553301  0.535728  1
  Al  Al123  1  0.442680  0.892132  0.522253  1
  Al  Al124  1  0.281046  0.215203  0.550208  1
  Al  Al125  1  0.942631  0.892112  0.522247  1
  Al  Al126  1  0.781184  0.215186  0.550207  1
  Al  Al127  1  0.326682  0.624070  0.584887  1
  Al  Al128  1  0.826758  0.623935  0.584895  1
  Al  Al129  1  0.407727  0.962113  0.571290  1
  Al  Al130  1  0.488345  0.300828  0.557345  1
  Al  Al131  1  0.907593  0.962120  0.571291  1
  Al  Al132  1  0.746240  0.285788  0.599242  1
  Al  Al133  1  0.033418  0.710494  0.593041  1
  Al  Al134  1  0.533527  0.710499  0.593041  1
  Al  Al135  1  0.114533  0.048435  0.578880  1
  Al  Al136  1  0.195308  0.386670  0.564615  1
  Al  Al137  1  0.614390  0.048707  0.579017  1
  Al  Al138  1  0.695451  0.386667  0.564614  1
  Al  Al139  1  0.119881  0.537564  0.577362  1
  Al  Al140  1  0.620056  0.537559  0.577359  1
  Al  Al141  1  0.200527  0.876417  0.564069  1
  Al  Al142  1  0.038528  0.200468  0.592404  1
  Al  Al143  1  0.700633  0.876307  0.564036  1
  Al  Al144  1  0.538628  0.200235  0.592249  1
  Al  Al145  1  0.084793  0.607815  0.626185  1
  Al  Al146  1  0.584885  0.607810  0.626181  1
  Al  Al147  1  0.165617  0.946189  0.612995  1
  Al  Al148  1  0.245408  0.285783  0.599245  1
  Al  Al149  1  0.665776  0.945974  0.612879  1
  Al  Al150  1  0.502851  0.271737  0.641702  1
  Al  Al151  1  0.791731  0.694022  0.634269  1
  Al  Al152  1  0.291663  0.694135  0.634325  1
  Al  Al153  1  0.872601  0.032187  0.620111  1
  Al  Al154  1  0.953008  0.371397  0.606450  1
  Al  Al155  1  0.372629  0.032241  0.620129  1
  Al  Al156  1  0.453099  0.371303  0.606341  1
  Al  Al157  1  0.877645  0.522210  0.619172  1
  Al  Al158  1  0.377481  0.522552  0.619054  1
  Al  Al159  1  0.958399  0.860930  0.606224  1
  Al  Al160  1  0.794896  0.186207  0.634147  1
  Al  Al161  1  0.458130  0.860938  0.606226  1
  Al  Al162  1  0.296372  0.186201  0.634126  1
  Al  Al163  1  0.842978  0.591526  0.668883  1
  Al  Al164  1  0.343088  0.591306  0.668880  1
  Al  Al165  1  0.923516  0.931481  0.655564  1
  Al  Al166  1  0.002841  0.271782  0.642246  1
  Al  Al167  1  0.422434  0.931487  0.655565  1
  Al  Al168  1  0.264636  0.256953  0.684874  1
  Al  Al169  1  0.550709  0.675485  0.674799  1
  Al  Al170  1  0.051315  0.675480  0.674797  1
  Al  Al171  1  0.631204  0.014947  0.661200  1
  Al  Al172  1  0.711171  0.355148  0.648202  1
  Al  Al173  1  0.130963  0.015704  0.661513  1
  Al  Al174  1  0.211112  0.355146  0.648196  1
  Al  Al175  1  0.634752  0.508539  0.661013  1
  Al  Al176  1  0.134203  0.508544  0.661015  1
  Al  Al177  1  0.715318  0.846858  0.648462  1
  Al  Al178  1  0.552958  0.171689  0.675512  1
  Al  Al179  1  0.215461  0.846600  0.648423  1
  Al  Al180  1  0.053082  0.171294  0.674497  1
  Al  Al181  1  0.599521  0.576305  0.710950  1
  Al  Al182  1  0.101662  0.576304  0.710950  1
  Al  Al183  1  0.679724  0.918000  0.698014  1
  Al  Al184  1  0.755841  0.256955  0.684874  1
  Al  Al185  1  0.180333  0.916800  0.697975  1
  Al  Al186  1  0.022245  0.233051  0.722861  1
  Al  Al187  1  0.307940  0.661647  0.716960  1
  Al  Al188  1  0.808194  0.661132  0.716935  1
  Al  Al189  1  0.385069  1.002398  0.703936  1
  Al  Al190  1  0.467167  0.343111  0.690994  1
  Al  Al191  1  0.889968  1.002387  0.703949  1
  Al  Al192  1  0.968508  0.340447  0.691834  1
  Al  Al193  1  0.393331  0.490863  0.703222  1
  Al  Al194  1  0.892705  0.492121  0.703461  1
  Al  Al195  1  0.472959  0.833461  0.690163  1
  Al  Al196  1  0.315287  0.151883  0.715832  1
  Al  Al197  1  0.971043  0.833459  0.690162  1
  Al  Al198  1  0.810417  0.151858  0.715811  1
  Cu  Cu199  1  0.103772  0.569663  0.282978  1
  Cu  Cu200  1  0.602699  0.572033  0.283299  1
  Cu  Cu201  1  0.942638  0.892073  0.308707  1
  Cu  Cu202  1  0.026001  0.229955  0.295830  1
  Cu  Cu203  1  0.442507  0.892368  0.308725  1
  Cu  Cu204  1  0.521446  0.229962  0.295835  1
  Cu  Cu205  1  0.859934  0.556091  0.321914  1
  Cu  Cu206  1  0.361337  0.556085  0.321919  1
  Cu  Cu207  1  0.699897  0.877417  0.348589  1
  Cu  Cu208  1  0.780839  0.215663  0.335207  1
  Cu  Cu209  1  0.200129  0.877414  0.348593  1
  Cu  Cu210  1  0.280608  0.216223  0.334801  1
  Cu  Cu211  1  0.618777  0.539855  0.361856  1
  Cu  Cu212  1  0.118632  0.540059  0.362274  1
  Cu  Cu213  1  0.457520  0.862283  0.390126  1
  Cu  Cu214  1  0.538403  0.200859  0.376136  1
  Cu  Cu215  1  0.957540  0.862361  0.390178  1
  Cu  Cu216  1  0.038157  0.200856  0.376142  1
  Cu  Cu217  1  0.376484  0.523856  0.403578  1
  Cu  Cu218  1  0.877082  0.523885  0.403578  1
  Cu  Cu219  1  0.215058  0.847129  0.432275  1
  Cu  Cu220  1  0.295948  0.185466  0.418065  1
  Cu  Cu221  1  0.715240  0.847130  0.432288  1
  Cu  Cu222  1  0.796004  0.185454  0.418072  1
  Cu  Cu223  1  0.134493  0.508329  0.445533  1
  Cu  Cu224  1  0.634548  0.508350  0.445620  1
  Cu  Cu225  1  0.972756  0.831831  0.474099  1
  Cu  Cu226  1  0.053565  0.170189  0.459921  1
  Cu  Cu227  1  0.472824  0.831858  0.474120  1
  Cu  Cu228  1  0.553666  0.170195  0.459930  1
  Cu  Cu229  1  0.892210  0.492942  0.487439  1
  Cu  Cu230  1  0.392292  0.492947  0.487463  1
  Cu  Cu231  1  0.730478  0.816427  0.515767  1
  Cu  Cu232  1  0.811167  0.154988  0.501854  1
  Cu  Cu233  1  0.230543  0.816452  0.515791  1
  Cu  Cu234  1  0.311268  0.154981  0.501878  1
  Cu  Cu235  1  0.649928  0.477491  0.529133  1
  Cu  Cu236  1  0.150041  0.477498  0.529142  1
  Cu  Cu237  1  0.488036  0.801158  0.557650  1
  Cu  Cu238  1  0.568804  0.139834  0.543845  1
  Cu  Cu239  1  0.988234  0.801176  0.557664  1
  Cu  Cu240  1  0.068873  0.139848  0.543926  1
  Cu  Cu241  1  0.407664  0.462095  0.570938  1
  Cu  Cu242  1  0.907712  0.462070  0.570955  1
  Cu  Cu243  1  0.245722  0.785973  0.599819  1
  Cu  Cu244  1  0.326109  0.124663  0.585860  1
  Cu  Cu245  1  0.745754  0.786044  0.599881  1
  Cu  Cu246  1  0.826659  0.124679  0.585858  1
  Cu  Cu247  1  0.165493  0.446771  0.613062  1
  Cu  Cu248  1  0.665214  0.446766  0.613066  1
  Cu  Cu249  1  0.003247  0.770554  0.642033  1
  Cu  Cu250  1  0.084369  0.108840  0.627163  1
  Cu  Cu251  1  0.503669  0.770551  0.642039  1
  Cu  Cu252  1  0.584161  0.109026  0.627544  1
  Cu  Cu253  1  0.922980  0.431453  0.654709  1
  Cu  Cu254  1  0.422761  0.432012  0.654288  1
  Cu  Cu255  1  0.761504  0.754514  0.682161  1
  Cu  Cu256  1  0.841533  0.093043  0.667583  1
  Cu  Cu257  1  0.261330  0.754889  0.682285  1
  Cu  Cu258  1  0.342920  0.092986  0.667571  1
  Cu  Cu259  1  0.682153  0.417693  0.693800  1
  Cu  Cu260  1  0.177637  0.417699  0.693804  1
  Cu  Cu261  1  0.520383  0.738211  0.718846  1
  Cu  Cu262  1  0.600342  0.076897  0.706270  1
  Cu  Cu263  1  0.019016  0.738212  0.718849  1
  Cu  Cu264  1  0.098981  0.079670  0.706644  1
