# generated using pymatgen
data_Al3Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.12595079
_cell_length_b   16.05898311
_cell_length_c   47.31718179
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   78.79991865
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Cu
_chemical_formula_sum   'Al162 Cu54'
_cell_volume   7547.82384139
_cell_formula_units_Z   54
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  0.891329  0.457869  0.315080  1
  Al  Al2  1  0.272459  0.476325  0.301175  1
  Al  Al3  1  0.645360  0.498138  0.287400  1
  Al  Al4  1  0.891329  0.957869  0.315080  1
  Al  Al5  1  0.272459  0.976325  0.301175  1
  Al  Al6  1  0.645360  0.998138  0.287400  1
  Al  Al7  1  0.804450  0.619520  0.291311  1
  Al  Al8  1  0.045765  0.582766  0.321182  1
  Al  Al9  1  0.418926  0.607411  0.306241  1
  Al  Al10  1  0.804450  0.119520  0.291311  1
  Al  Al11  1  0.045765  0.082766  0.321182  1
  Al  Al12  1  0.418926  0.107411  0.306241  1
  Al  Al13  1  0.736735  0.331758  0.311225  1
  Al  Al14  1  0.120168  0.346376  0.297565  1
  Al  Al15  1  0.359253  0.313662  0.326838  1
  Al  Al16  1  0.736735  0.831758  0.311225  1
  Al  Al17  1  0.120168  0.846376  0.297565  1
  Al  Al18  1  0.359253  0.813662  0.326838  1
  Al  Al19  1  0.750775  0.414555  0.364211  1
  Al  Al20  1  0.134793  0.428592  0.348540  1
  Al  Al21  1  0.509966  0.443500  0.331741  1
  Al  Al22  1  0.750775  0.914555  0.364211  1
  Al  Al23  1  0.134793  0.928592  0.348540  1
  Al  Al24  1  0.509966  0.943500  0.331741  1
  Al  Al25  1  0.666040  0.570891  0.338307  1
  Al  Al26  1  0.906615  0.540980  0.368890  1
  Al  Al27  1  0.286513  0.556849  0.353556  1
  Al  Al28  1  0.666040  0.070891  0.338307  1
  Al  Al29  1  0.906615  0.040980  0.368890  1
  Al  Al30  1  0.286513  0.056849  0.353556  1
  Al  Al31  1  0.600228  0.287612  0.360719  1
  Al  Al32  1  0.976797  0.305432  0.345694  1
  Al  Al33  1  0.220319  0.271904  0.376385  1
  Al  Al34  1  0.600228  0.787612  0.360719  1
  Al  Al35  1  0.976797  0.805432  0.345694  1
  Al  Al36  1  0.220319  0.771904  0.376385  1
  Al  Al37  1  0.613099  0.370220  0.412950  1
  Al  Al38  1  0.992911  0.385839  0.397240  1
  Al  Al39  1  0.373451  0.398713  0.380248  1
  Al  Al40  1  0.613099  0.870220  0.412950  1
  Al  Al41  1  0.992911  0.885839  0.397240  1
  Al  Al42  1  0.373451  0.898713  0.380248  1
  Al  Al43  1  0.525396  0.527095  0.385337  1
  Al  Al44  1  0.765714  0.498051  0.417184  1
  Al  Al45  1  0.146497  0.513089  0.401174  1
  Al  Al46  1  0.525396  0.027095  0.385337  1
  Al  Al47  1  0.765714  0.998051  0.417184  1
  Al  Al48  1  0.146497  0.013089  0.401174  1
  Al  Al49  1  0.460922  0.241563  0.408222  1
  Al  Al50  1  0.839940  0.257107  0.392601  1
  Al  Al51  1  0.080443  0.226183  0.423701  1
  Al  Al52  1  0.460922  0.741563  0.408222  1
  Al  Al53  1  0.839940  0.757107  0.392601  1
  Al  Al54  1  0.080443  0.726183  0.423701  1
  Al  Al55  1  0.473630  0.325154  0.460697  1
  Al  Al56  1  0.853460  0.340272  0.444852  1
  Al  Al57  1  0.233647  0.355123  0.428702  1
  Al  Al58  1  0.473630  0.825154  0.460697  1
  Al  Al59  1  0.853460  0.840272  0.444852  1
  Al  Al60  1  0.233647  0.855123  0.428702  1
  Al  Al61  1  0.385981  0.482970  0.433170  1
  Al  Al62  1  0.626290  0.453570  0.465357  1
  Al  Al63  1  0.006421  0.468666  0.449355  1
  Al  Al64  1  0.385981  0.982970  0.433170  1
  Al  Al65  1  0.626290  0.953570  0.465357  1
  Al  Al66  1  0.006421  0.968666  0.449355  1
  Al  Al67  1  0.320566  0.196557  0.455640  1
  Al  Al68  1  0.700761  0.211151  0.439846  1
  Al  Al69  1  0.940923  0.181202  0.471416  1
  Al  Al70  1  0.320566  0.696557  0.455640  1
  Al  Al71  1  0.700761  0.711151  0.439846  1
  Al  Al72  1  0.940923  0.681202  0.471416  1
  Al  Al73  1  0.333737  0.280233  0.508285  1
  Al  Al74  1  0.713796  0.295019  0.492389  1
  Al  Al75  1  0.093645  0.310076  0.476465  1
  Al  Al76  1  0.333737  0.780233  0.508285  1
  Al  Al77  1  0.713796  0.795019  0.492389  1
  Al  Al78  1  0.093645  0.810076  0.476465  1
  Al  Al79  1  0.246415  0.438482  0.481268  1
  Al  Al80  1  0.486728  0.408973  0.513261  1
  Al  Al81  1  0.866750  0.423552  0.497279  1
  Al  Al82  1  0.246415  0.938482  0.481268  1
  Al  Al83  1  0.486728  0.908973  0.513261  1
  Al  Al84  1  0.866750  0.923552  0.497279  1
  Al  Al85  1  0.180835  0.151469  0.503312  1
  Al  Al86  1  0.560792  0.166240  0.487427  1
  Al  Al87  1  0.801048  0.136576  0.519340  1
  Al  Al88  1  0.180835  0.651469  0.503312  1
  Al  Al89  1  0.560792  0.666240  0.487427  1
  Al  Al90  1  0.801048  0.636576  0.519340  1
  Al  Al91  1  0.194161  0.234716  0.555668  1
  Al  Al92  1  0.573799  0.249931  0.539896  1
  Al  Al93  1  0.953806  0.265001  0.524204  1
  Al  Al94  1  0.194161  0.734716  0.555668  1
  Al  Al95  1  0.573799  0.749931  0.539896  1
  Al  Al96  1  0.953806  0.765001  0.524204  1
  Al  Al97  1  0.106587  0.393913  0.529265  1
  Al  Al98  1  0.346901  0.364361  0.560945  1
  Al  Al99  1  0.726873  0.378551  0.545018  1
  Al  Al100  1  0.106587  0.893913  0.529265  1
  Al  Al101  1  0.346901  0.864361  0.560945  1
  Al  Al102  1  0.726873  0.878551  0.545018  1
  Al  Al103  1  0.041044  0.106298  0.551212  1
  Al  Al104  1  0.421373  0.121216  0.535189  1
  Al  Al105  1  0.661485  0.092040  0.567506  1
  Al  Al106  1  0.041044  0.606298  0.551212  1
  Al  Al107  1  0.421373  0.621216  0.535189  1
  Al  Al108  1  0.661485  0.592040  0.567506  1
  Al  Al109  1  0.054564  0.189260  0.603197  1
  Al  Al110  1  0.434508  0.204361  0.587449  1
  Al  Al111  1  0.813612  0.219781  0.571943  1
  Al  Al112  1  0.054564  0.689260  0.603197  1
  Al  Al113  1  0.434508  0.704361  0.587449  1
  Al  Al114  1  0.813612  0.719781  0.571943  1
  Al  Al115  1  0.966614  0.349036  0.576916  1
  Al  Al116  1  0.207577  0.317843  0.607744  1
  Al  Al117  1  0.586535  0.333124  0.592340  1
  Al  Al118  1  0.966614  0.849036  0.576916  1
  Al  Al119  1  0.207577  0.817843  0.607744  1
  Al  Al120  1  0.586535  0.833124  0.592340  1
  Al  Al121  1  0.900964  0.061918  0.599439  1
  Al  Al122  1  0.282022  0.076621  0.583357  1
  Al  Al123  1  0.521381  0.048374  0.615732  1
  Al  Al124  1  0.900964  0.561918  0.599439  1
  Al  Al125  1  0.282022  0.576621  0.583357  1
  Al  Al126  1  0.521381  0.548374  0.615732  1
  Al  Al127  1  0.914247  0.146177  0.651865  1
  Al  Al128  1  0.296186  0.160470  0.636154  1
  Al  Al129  1  0.673928  0.175757  0.620577  1
  Al  Al130  1  0.914247  0.646177  0.651865  1
  Al  Al131  1  0.296186  0.660470  0.636154  1
  Al  Al132  1  0.673928  0.675757  0.620577  1
  Al  Al133  1  0.826945  0.303214  0.624190  1
  Al  Al134  1  0.070097  0.270015  0.654772  1
  Al  Al135  1  0.447704  0.286022  0.639507  1
  Al  Al136  1  0.826945  0.803214  0.624190  1
  Al  Al137  1  0.070097  0.770015  0.654772  1
  Al  Al138  1  0.447704  0.786022  0.639507  1
  Al  Al139  1  0.759847  0.018551  0.647098  1
  Al  Al140  1  0.142181  0.034468  0.631730  1
  Al  Al141  1  0.382449  0.005853  0.663541  1
  Al  Al142  1  0.759847  0.518551  0.647098  1
  Al  Al143  1  0.142181  0.534468  0.631730  1
  Al  Al144  1  0.382449  0.505853  0.663541  1
  Al  Al145  1  0.777043  0.097851  0.699105  1
  Al  Al146  1  0.158763  0.116747  0.685520  1
  Al  Al147  1  0.534751  0.132001  0.669918  1
  Al  Al148  1  0.777043  0.597851  0.699105  1
  Al  Al149  1  0.158763  0.616747  0.685520  1
  Al  Al150  1  0.534751  0.632001  0.669918  1
  Al  Al151  1  0.689724  0.260363  0.673520  1
  Al  Al152  1  0.929097  0.227929  0.702792  1
  Al  Al153  1  0.306824  0.245952  0.688474  1
  Al  Al154  1  0.689724  0.760363  0.673520  1
  Al  Al155  1  0.929097  0.727929  0.702792  1
  Al  Al156  1  0.306824  0.745952  0.688474  1
  Al  Al157  1  0.626766  0.968607  0.693499  1
  Al  Al158  1  0.002864  0.992638  0.679122  1
  Al  Al159  1  0.242994  0.953697  0.707513  1
  Al  Al160  1  0.626766  0.468607  0.693499  1
  Al  Al161  1  0.002864  0.492638  0.679122  1
  Al  Al162  1  0.242994  0.453697  0.707513  1
  Cu  Cu163  1  0.965444  0.230744  0.297994  1
  Cu  Cu164  1  0.195451  0.201007  0.327021  1
  Cu  Cu165  1  0.586680  0.213997  0.312119  1
  Cu  Cu166  1  0.965444  0.730744  0.297994  1
  Cu  Cu167  1  0.195451  0.701007  0.327021  1
  Cu  Cu168  1  0.586680  0.713997  0.312119  1
  Cu  Cu169  1  0.824203  0.187446  0.341987  1
  Cu  Cu170  1  0.061389  0.156820  0.372425  1
  Cu  Cu171  1  0.442945  0.172231  0.357528  1
  Cu  Cu172  1  0.824203  0.687446  0.341987  1
  Cu  Cu173  1  0.061389  0.656820  0.372425  1
  Cu  Cu174  1  0.442945  0.672231  0.357528  1
  Cu  Cu175  1  0.683758  0.142005  0.388731  1
  Cu  Cu176  1  0.923279  0.111644  0.420162  1
  Cu  Cu177  1  0.303348  0.127251  0.404538  1
  Cu  Cu178  1  0.683758  0.642005  0.388731  1
  Cu  Cu179  1  0.923279  0.611644  0.420162  1
  Cu  Cu180  1  0.303348  0.627251  0.404538  1
  Cu  Cu181  1  0.543194  0.096957  0.436363  1
  Cu  Cu182  1  0.783619  0.067143  0.468318  1
  Cu  Cu183  1  0.163812  0.082215  0.452282  1
  Cu  Cu184  1  0.543194  0.596957  0.436363  1
  Cu  Cu185  1  0.783619  0.567143  0.468318  1
  Cu  Cu186  1  0.163812  0.582215  0.452282  1
  Cu  Cu187  1  0.403440  0.052350  0.484188  1
  Cu  Cu188  1  0.644279  0.022649  0.516394  1
  Cu  Cu189  1  0.023724  0.037499  0.500289  1
  Cu  Cu190  1  0.403440  0.552350  0.484188  1
  Cu  Cu191  1  0.644279  0.522649  0.516394  1
  Cu  Cu192  1  0.023724  0.537499  0.500289  1
  Cu  Cu193  1  0.263799  0.007885  0.532249  1
  Cu  Cu194  1  0.504722  0.978207  0.564469  1
  Cu  Cu195  1  0.883527  0.992885  0.548323  1
  Cu  Cu196  1  0.263799  0.507885  0.532249  1
  Cu  Cu197  1  0.504722  0.478207  0.564469  1
  Cu  Cu198  1  0.883527  0.492885  0.548323  1
  Cu  Cu199  1  0.124091  0.963521  0.580537  1
  Cu  Cu200  1  0.364621  0.933315  0.612430  1
  Cu  Cu201  1  0.743379  0.947983  0.596167  1
  Cu  Cu202  1  0.124091  0.463521  0.580537  1
  Cu  Cu203  1  0.364621  0.433315  0.612430  1
  Cu  Cu204  1  0.743379  0.447983  0.596167  1
  Cu  Cu205  1  0.985846  0.918596  0.628124  1
  Cu  Cu206  1  0.223938  0.887969  0.657840  1
  Cu  Cu207  1  0.603521  0.902459  0.642942  1
  Cu  Cu208  1  0.985846  0.418596  0.628124  1
  Cu  Cu209  1  0.223938  0.387969  0.657840  1
  Cu  Cu210  1  0.603521  0.402459  0.642942  1
  Cu  Cu211  1  0.850902  0.874586  0.673587  1
  Cu  Cu212  1  0.079862  0.845591  0.702500  1
  Cu  Cu213  1  0.462344  0.859191  0.687760  1
  Cu  Cu214  1  0.850902  0.374586  0.673587  1
  Cu  Cu215  1  0.079862  0.345591  0.702500  1
  Cu  Cu216  1  0.462344  0.359191  0.687760  1
