# generated using pymatgen
data_Al3Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.87068656
_cell_length_b   17.28921411
_cell_length_c   46.60257676
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   110.23340862
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Cu
_chemical_formula_sum   'Al198 Cu66'
_cell_volume   8974.26342508
_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  0.231951  0.433522  0.286734  1
  Al  Al2  1  0.898618  0.433522  0.286734  1
  Al  Al3  1  0.634071  0.904211  0.302985  1
  Al  Al4  1  0.565285  0.433522  0.286734  1
  Al  Al5  1  0.300738  0.904211  0.302985  1
  Al  Al6  1  0.967404  0.904211  0.302985  1
  Al  Al7  1  0.120780  0.544371  0.300975  1
  Al  Al8  1  0.787447  0.544371  0.300975  1
  Al  Al9  1  0.715395  0.067182  0.284041  1
  Al  Al10  1  0.454113  0.544371  0.300975  1
  Al  Al11  1  0.382062  0.067182  0.284041  1
  Al  Al12  1  0.048729  0.067182  0.284041  1
  Al  Al13  1  0.816184  0.268226  0.308129  1
  Al  Al14  1  0.482851  0.268226  0.308129  1
  Al  Al15  1  0.408982  0.787406  0.291023  1
  Al  Al16  1  0.149518  0.268226  0.308129  1
  Al  Al17  1  0.075649  0.787406  0.291023  1
  Al  Al18  1  0.742315  0.787406  0.291023  1
  Al  Al19  1  0.039239  0.381209  0.323731  1
  Al  Al20  1  0.705906  0.381209  0.323731  1
  Al  Al21  1  0.444208  0.857697  0.344433  1
  Al  Al22  1  0.372572  0.381209  0.323731  1
  Al  Al23  1  0.110875  0.857697  0.344433  1
  Al  Al24  1  0.777542  0.857697  0.344433  1
  Al  Al25  1  0.928994  0.494053  0.341460  1
  Al  Al26  1  0.595661  0.494053  0.341460  1
  Al  Al27  1  0.523044  0.015648  0.320502  1
  Al  Al28  1  0.262328  0.494053  0.341460  1
  Al  Al29  1  0.189711  0.015648  0.320502  1
  Al  Al30  1  0.856377  0.015648  0.320502  1
  Al  Al31  1  0.627455  0.224145  0.350510  1
  Al  Al32  1  0.294122  0.224145  0.350510  1
  Al  Al33  1  0.220242  0.743040  0.328464  1
  Al  Al34  1  0.960788  0.224145  0.350510  1
  Al  Al35  1  0.886909  0.743040  0.328464  1
  Al  Al36  1  0.553576  0.743040  0.328464  1
  Al  Al37  1  0.849983  0.335881  0.364829  1
  Al  Al38  1  0.516649  0.335881  0.364829  1
  Al  Al39  1  0.255359  0.813216  0.384998  1
  Al  Al40  1  0.183316  0.335881  0.364829  1
  Al  Al41  1  0.922026  0.813216  0.384998  1
  Al  Al42  1  0.588692  0.813216  0.384998  1
  Al  Al43  1  0.740033  0.449403  0.381161  1
  Al  Al44  1  0.406700  0.449403  0.381161  1
  Al  Al45  1  0.334708  0.972158  0.360253  1
  Al  Al46  1  0.073367  0.449403  0.381161  1
  Al  Al47  1  1.001375  0.972158  0.360253  1
  Al  Al48  1  0.668041  0.972158  0.360253  1
  Al  Al49  1  0.436986  0.176469  0.390176  1
  Al  Al50  1  0.103653  0.176469  0.390176  1
  Al  Al51  1  0.031804  0.699376  0.370015  1
  Al  Al52  1  0.770319  0.176469  0.390176  1
  Al  Al53  1  0.698471  0.699376  0.370015  1
  Al  Al54  1  0.365137  0.699376  0.370015  1
  Al  Al55  1  0.660933  0.291113  0.406052  1
  Al  Al56  1  0.327599  0.291113  0.406052  1
  Al  Al57  1  0.066261  0.768323  0.425682  1
  Al  Al58  1  0.994266  0.291113  0.406052  1
  Al  Al59  1  0.732928  0.768323  0.425682  1
  Al  Al60  1  0.399594  0.768323  0.425682  1
  Al  Al61  1  0.551174  0.404984  0.421492  1
  Al  Al62  1  0.217840  0.404984  0.421492  1
  Al  Al63  1  0.145865  0.927723  0.400740  1
  Al  Al64  1  0.884507  0.404984  0.421492  1
  Al  Al65  1  0.812532  0.927723  0.400740  1
  Al  Al66  1  0.479198  0.927723  0.400740  1
  Al  Al67  1  0.247044  0.129763  0.429490  1
  Al  Al68  1  0.913711  0.129763  0.429490  1
  Al  Al69  1  0.842130  0.653265  0.409814  1
  Al  Al70  1  0.580378  0.129763  0.429490  1
  Al  Al71  1  0.508797  0.653265  0.409814  1
  Al  Al72  1  0.175463  0.653265  0.409814  1
  Al  Al73  1  0.471312  0.245128  0.446109  1
  Al  Al74  1  0.137979  0.245128  0.446109  1
  Al  Al75  1  0.876722  0.722511  0.465857  1
  Al  Al76  1  0.804646  0.245128  0.446109  1
  Al  Al77  1  0.543389  0.722511  0.465857  1
  Al  Al78  1  0.210055  0.722511  0.465857  1
  Al  Al79  1  0.361973  0.359868  0.461995  1
  Al  Al80  1  0.028639  0.359868  0.461995  1
  Al  Al81  1  0.956581  0.882392  0.441262  1
  Al  Al82  1  0.695306  0.359868  0.461995  1
  Al  Al83  1  0.623247  0.882392  0.441262  1
  Al  Al84  1  0.289914  0.882392  0.441262  1
  Al  Al85  1  0.057677  0.084233  0.469382  1
  Al  Al86  1  0.724343  0.084233  0.469382  1
  Al  Al87  1  0.652632  0.607529  0.449659  1
  Al  Al88  1  0.391010  0.084233  0.469382  1
  Al  Al89  1  0.319298  0.607529  0.449659  1
  Al  Al90  1  0.985965  0.607529  0.449659  1
  Al  Al91  1  0.281781  0.199293  0.485915  1
  Al  Al92  1  0.948448  0.199293  0.485915  1
  Al  Al93  1  0.687213  0.676750  0.505865  1
  Al  Al94  1  0.615115  0.199293  0.485915  1
  Al  Al95  1  0.353880  0.676750  0.505865  1
  Al  Al96  1  0.020547  0.676750  0.505865  1
  Al  Al97  1  0.172575  0.314365  0.502230  1
  Al  Al98  1  0.839242  0.314365  0.502230  1
  Al  Al99  1  0.767218  0.836959  0.481786  1
  Al  Al100  1  0.505909  0.314365  0.502230  1
  Al  Al101  1  0.433885  0.836959  0.481786  1
  Al  Al102  1  0.100552  0.836959  0.481786  1
  Al  Al103  1  0.868332  0.038808  0.509544  1
  Al  Al104  1  0.534998  0.038808  0.509544  1
  Al  Al105  1  0.463133  0.561801  0.489671  1
  Al  Al106  1  0.201665  0.038808  0.509544  1
  Al  Al107  1  0.129800  0.561801  0.489671  1
  Al  Al108  1  0.796467  0.561801  0.489671  1
  Al  Al109  1  0.092370  0.153717  0.525852  1
  Al  Al110  1  0.759036  0.153717  0.525852  1
  Al  Al111  1  0.497593  0.630798  0.545730  1
  Al  Al112  1  0.425703  0.153717  0.525852  1
  Al  Al113  1  0.164260  0.630798  0.545730  1
  Al  Al114  1  0.830926  0.630798  0.545730  1
  Al  Al115  1  0.983154  0.268760  0.542299  1
  Al  Al116  1  0.649820  0.268760  0.542299  1
  Al  Al117  1  0.577873  0.791586  0.522120  1
  Al  Al118  1  0.316487  0.268760  0.542299  1
  Al  Al119  1  0.244540  0.791586  0.522120  1
  Al  Al120  1  0.911206  0.791586  0.522120  1
  Al  Al121  1  0.678905  0.993267  0.549792  1
  Al  Al122  1  0.345571  0.993267  0.549792  1
  Al  Al123  1  0.273683  0.516175  0.529898  1
  Al  Al124  1  0.012238  0.993267  0.549792  1
  Al  Al125  1  0.940350  0.516175  0.529898  1
  Al  Al126  1  0.607017  0.516175  0.529898  1
  Al  Al127  1  0.902916  0.108056  0.565764  1
  Al  Al128  1  0.569583  0.108056  0.565764  1
  Al  Al129  1  0.307898  0.584692  0.585810  1
  Al  Al130  1  0.236249  0.108056  0.565764  1
  Al  Al131  1  0.974564  0.584692  0.585810  1
  Al  Al132  1  0.641231  0.584692  0.585810  1
  Al  Al133  1  0.793757  0.223223  0.582298  1
  Al  Al134  1  0.460423  0.223223  0.582298  1
  Al  Al135  1  0.388554  0.746118  0.562152  1
  Al  Al136  1  0.127090  0.223223  0.582298  1
  Al  Al137  1  0.055221  0.746118  0.562152  1
  Al  Al138  1  0.721887  0.746118  0.562152  1
  Al  Al139  1  0.489594  0.947990  0.590365  1
  Al  Al140  1  0.156261  0.947990  0.590365  1
  Al  Al141  1  0.084413  0.470956  0.570462  1
  Al  Al142  1  0.822927  0.947990  0.590365  1
  Al  Al143  1  0.751080  0.470956  0.570462  1
  Al  Al144  1  0.417747  0.470956  0.570462  1
  Al  Al145  1  0.713230  0.061957  0.605661  1
  Al  Al146  1  0.379897  0.061957  0.605661  1
  Al  Al147  1  0.118993  0.540179  0.626980  1
  Al  Al148  1  0.046563  0.061957  0.605661  1
  Al  Al149  1  0.785660  0.540179  0.626980  1
  Al  Al150  1  0.452327  0.540179  0.626980  1
  Al  Al151  1  0.604205  0.177358  0.621881  1
  Al  Al152  1  0.270872  0.177358  0.621881  1
  Al  Al153  1  0.198742  0.699781  0.601510  1
  Al  Al154  1  0.937538  0.177358  0.621881  1
  Al  Al155  1  0.865409  0.699781  0.601510  1
  Al  Al156  1  0.532076  0.699781  0.601510  1
  Al  Al157  1  0.300982  0.903896  0.631128  1
  Al  Al158  1  0.967648  0.903896  0.631128  1
  Al  Al159  1  0.895336  0.426115  0.611001  1
  Al  Al160  1  0.634315  0.903896  0.631128  1
  Al  Al161  1  0.562003  0.426115  0.611001  1
  Al  Al162  1  0.228670  0.426115  0.611001  1
  Al  Al163  1  0.524072  0.016986  0.646760  1
  Al  Al164  1  0.190739  0.016986  0.646760  1
  Al  Al165  1  0.930912  0.497075  0.667865  1
  Al  Al166  1  0.857405  0.016986  0.646760  1
  Al  Al167  1  0.597579  0.497075  0.667865  1
  Al  Al168  1  0.264246  0.497075  0.667865  1
  Al  Al169  1  0.413649  0.129290  0.660898  1
  Al  Al170  1  0.080316  0.129290  0.660898  1
  Al  Al171  1  0.008682  0.652868  0.641135  1
  Al  Al172  1  0.746983  0.129290  0.660898  1
  Al  Al173  1  0.675349  0.652868  0.641135  1
  Al  Al174  1  0.342015  0.652868  0.641135  1
  Al  Al175  1  0.112663  0.860517  0.671133  1
  Al  Al176  1  0.779330  0.860517  0.671133  1
  Al  Al177  1  0.706381  0.381322  0.650838  1
  Al  Al178  1  0.445996  0.860517  0.671133  1
  Al  Al179  1  0.373048  0.381322  0.650838  1
  Al  Al180  1  0.039715  0.381322  0.650838  1
  Al  Al181  1  0.334873  0.971824  0.688640  1
  Al  Al182  1  1.001539  0.971824  0.688640  1
  Al  Al183  1  0.739136  0.446736  0.705559  1
  Al  Al184  1  0.668206  0.971824  0.688640  1
  Al  Al185  1  0.405803  0.446736  0.705559  1
  Al  Al186  1  0.072469  0.446736  0.705559  1
  Al  Al187  1  0.225389  0.086075  0.701962  1
  Al  Al188  1  0.892056  0.086075  0.701962  1
  Al  Al189  1  0.820262  0.609425  0.683621  1
  Al  Al190  1  0.558723  0.086075  0.701962  1
  Al  Al191  1  0.486929  0.609425  0.683621  1
  Al  Al192  1  0.153595  0.609425  0.683621  1
  Al  Al193  1  0.920516  0.809271  0.707735  1
  Al  Al194  1  0.587183  0.809271  0.707735  1
  Al  Al195  1  0.517781  0.337561  0.690948  1
  Al  Al196  1  0.253849  0.809271  0.707735  1
  Al  Al197  1  0.184448  0.337561  0.690948  1
  Al  Al198  1  0.851114  0.337561  0.690948  1
  Cu  Cu199  1  0.930857  0.164479  0.299173  1
  Cu  Cu200  1  0.597523  0.164479  0.299173  1
  Cu  Cu201  1  0.335285  0.639894  0.317687  1
  Cu  Cu202  1  0.264190  0.164479  0.299173  1
  Cu  Cu203  1  1.001952  0.639894  0.317687  1
  Cu  Cu204  1  0.668619  0.639894  0.317687  1
  Cu  Cu205  1  0.742540  0.121198  0.336678  1
  Cu  Cu206  1  0.409206  0.121198  0.336678  1
  Cu  Cu207  1  0.147008  0.596617  0.355907  1
  Cu  Cu208  1  0.075873  0.121198  0.336678  1
  Cu  Cu209  1  0.813675  0.596617  0.355907  1
  Cu  Cu210  1  0.480342  0.596617  0.355907  1
  Cu  Cu211  1  0.552638  0.074592  0.374811  1
  Cu  Cu212  1  0.219305  0.074592  0.374811  1
  Cu  Cu213  1  0.957857  0.551559  0.395434  1
  Cu  Cu214  1  0.885972  0.074592  0.374811  1
  Cu  Cu215  1  0.624524  0.551559  0.395434  1
  Cu  Cu216  1  0.291190  0.551559  0.395434  1
  Cu  Cu217  1  0.363019  0.028513  0.414815  1
  Cu  Cu218  1  0.029685  0.028513  0.414815  1
  Cu  Cu219  1  0.768474  0.506051  0.435410  1
  Cu  Cu220  1  0.696352  0.028513  0.414815  1
  Cu  Cu221  1  0.435141  0.506051  0.435410  1
  Cu  Cu222  1  0.101807  0.506051  0.435410  1
  Cu  Cu223  1  0.173655  0.983029  0.455205  1
  Cu  Cu224  1  0.840322  0.983029  0.455205  1
  Cu  Cu225  1  0.579184  0.460742  0.475705  1
  Cu  Cu226  1  0.506989  0.983029  0.455205  1
  Cu  Cu227  1  0.245851  0.460742  0.475705  1
  Cu  Cu228  1  0.912518  0.460742  0.475705  1
  Cu  Cu229  1  0.984366  0.937739  0.495567  1
  Cu  Cu230  1  0.651033  0.937739  0.495567  1
  Cu  Cu231  1  0.389848  0.415401  0.516184  1
  Cu  Cu232  1  0.317699  0.937739  0.495567  1
  Cu  Cu233  1  0.056515  0.415401  0.516184  1
  Cu  Cu234  1  0.723182  0.415401  0.516184  1
  Cu  Cu235  1  0.795156  0.892581  0.536038  1
  Cu  Cu236  1  0.461823  0.892581  0.536038  1
  Cu  Cu237  1  0.200575  0.370123  0.556557  1
  Cu  Cu238  1  0.128489  0.892581  0.536038  1
  Cu  Cu239  1  0.867242  0.370123  0.556557  1
  Cu  Cu240  1  0.533909  0.370123  0.556557  1
  Cu  Cu241  1  0.605925  0.847422  0.576575  1
  Cu  Cu242  1  0.272592  0.847422  0.576575  1
  Cu  Cu243  1  0.011297  0.324762  0.596666  1
  Cu  Cu244  1  0.939259  0.847422  0.576575  1
  Cu  Cu245  1  0.677964  0.324762  0.596666  1
  Cu  Cu246  1  0.344631  0.324762  0.596666  1
  Cu  Cu247  1  0.416485  0.801832  0.616701  1
  Cu  Cu248  1  0.083151  0.801832  0.616701  1
  Cu  Cu249  1  0.821779  0.279002  0.636845  1
  Cu  Cu250  1  0.749818  0.801832  0.616701  1
  Cu  Cu251  1  0.488445  0.279002  0.636845  1
  Cu  Cu252  1  0.155112  0.279002  0.636845  1
  Cu  Cu253  1  0.226799  0.755590  0.654999  1
  Cu  Cu254  1  0.893465  0.755590  0.654999  1
  Cu  Cu255  1  0.632810  0.234184  0.675626  1
  Cu  Cu256  1  0.560132  0.755590  0.654999  1
  Cu  Cu257  1  0.299476  0.234184  0.675626  1
  Cu  Cu258  1  0.966143  0.234184  0.675626  1
  Cu  Cu259  1  0.038487  0.712177  0.692670  1
  Cu  Cu260  1  0.705153  0.712177  0.692670  1
  Cu  Cu261  1  0.444615  0.190678  0.711162  1
  Cu  Cu262  1  0.371820  0.712177  0.692670  1
  Cu  Cu263  1  0.111281  0.190678  0.711162  1
  Cu  Cu264  1  0.777948  0.190678  0.711162  1
