# generated using pymatgen
data_Al3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.85972921
_cell_length_b   24.36274647
_cell_length_c   53.97180636
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni
_chemical_formula_sum   'Al144 Ni48'
_cell_volume   6390.06491513
_cell_formula_units_Z   48
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  0.614792  0.669408  0.357784  1
  Al  Al2  1  0.586559  0.880944  0.288497  1
  Al  Al3  1  0.609936  0.272851  0.321243  1
  Al  Al4  1  0.145884  0.665040  0.323477  1
  Al  Al5  1  0.131004  0.062075  0.358820  1
  Al  Al6  1  0.130146  0.268532  0.288651  1
  Al  Al7  1  0.136239  0.743530  0.368906  1
  Al  Al8  1  0.105232  0.947769  0.292726  1
  Al  Al9  1  0.144738  0.343135  0.332514  1
  Al  Al10  1  0.644709  0.675430  0.302898  1
  Al  Al11  1  0.627730  0.073434  0.337598  1
  Al  Al12  1  0.644759  0.472426  0.375629  1
  Al  Al13  1  0.380143  0.768532  0.288651  1
  Al  Al14  1  0.364405  0.165040  0.323477  1
  Al  Al15  1  0.379285  0.562075  0.358820  1
  Al  Al16  1  0.872551  0.891945  0.332841  1
  Al  Al17  1  0.872166  0.291233  0.369087  1
  Al  Al18  1  0.907640  0.498704  0.293974  1
  Al  Al19  1  0.365552  0.843135  0.332514  1
  Al  Al20  1  0.374051  0.243530  0.368906  1
  Al  Al21  1  0.405057  0.447769  0.292726  1
  Al  Al22  1  0.865531  0.972426  0.375629  1
  Al  Al23  1  0.865580  0.175430  0.302898  1
  Al  Al24  1  0.882560  0.573434  0.337598  1
  Al  Al25  1  0.638124  0.791233  0.369087  1
  Al  Al26  1  0.602650  0.998704  0.293974  1
  Al  Al27  1  0.637738  0.391945  0.332841  1
  Al  Al28  1  0.900353  0.772851  0.321243  1
  Al  Al29  1  0.895498  0.169408  0.357784  1
  Al  Al30  1  0.923730  0.380944  0.288497  1
  Al  Al31  1  0.391076  0.962185  0.339824  1
  Al  Al32  1  0.411548  0.364088  0.379428  1
  Al  Al33  1  0.417050  0.565354  0.303999  1
  Al  Al34  1  0.098742  0.864088  0.379428  1
  Al  Al35  1  0.093239  0.065354  0.303999  1
  Al  Al36  1  0.119214  0.462185  0.339824  1
  Al  Al37  1  0.606452  0.870037  0.469473  1
  Al  Al38  1  0.600802  0.069368  0.394054  1
  Al  Al39  1  0.608756  0.470042  0.431708  1
  Al  Al40  1  0.135695  0.861540  0.434795  1
  Al  Al41  1  0.139188  0.261150  0.471940  1
  Al  Al42  1  0.143671  0.461978  0.397325  1
  Al  Al43  1  0.136769  0.943481  0.479604  1
  Al  Al44  1  0.137405  0.143549  0.405455  1
  Al  Al45  1  0.144734  0.543386  0.442006  1
  Al  Al46  1  0.635084  0.871736  0.413705  1
  Al  Al47  1  0.639662  0.271856  0.451305  1
  Al  Al48  1  0.646825  0.672610  0.487905  1
  Al  Al49  1  0.366618  0.961978  0.397325  1
  Al  Al50  1  0.374594  0.361540  0.434795  1
  Al  Al51  1  0.371101  0.761150  0.471940  1
  Al  Al52  1  0.864945  0.089906  0.441548  1
  Al  Al53  1  0.873528  0.490790  0.479011  1
  Al  Al54  1  0.871954  0.689259  0.405105  1
  Al  Al55  1  0.365556  0.043386  0.442006  1
  Al  Al56  1  0.373521  0.443481  0.479604  1
  Al  Al57  1  0.372884  0.643549  0.405455  1
  Al  Al58  1  0.863465  0.172610  0.487905  1
  Al  Al59  1  0.875206  0.371736  0.413705  1
  Al  Al60  1  0.870627  0.771856  0.451305  1
  Al  Al61  1  0.636761  0.990790  0.479011  1
  Al  Al62  1  0.638336  0.189259  0.405105  1
  Al  Al63  1  0.645345  0.589906  0.441548  1
  Al  Al64  1  0.901534  0.970042  0.431708  1
  Al  Al65  1  0.903838  0.370037  0.469473  1
  Al  Al66  1  0.909487  0.569368  0.394054  1
  Al  Al67  1  0.399816  0.163908  0.452587  1
  Al  Al68  1  0.407568  0.564067  0.489253  1
  Al  Al69  1  0.402351  0.763235  0.416299  1
  Al  Al70  1  0.102721  0.064067  0.489253  1
  Al  Al71  1  0.107938  0.263235  0.416299  1
  Al  Al72  1  0.110474  0.663908  0.452587  1
  Al  Al73  1  0.607938  0.070787  0.579964  1
  Al  Al74  1  0.602721  0.269955  0.507009  1
  Al  Al75  1  0.610474  0.670114  0.543675  1
  Al  Al76  1  0.139662  0.062165  0.544957  1
  Al  Al77  1  0.135084  0.462286  0.582557  1
  Al  Al78  1  0.146825  0.661411  0.508357  1
  Al  Al79  1  0.138336  0.144763  0.591157  1
  Al  Al80  1  0.136761  0.343231  0.517251  1
  Al  Al81  1  0.145345  0.744116  0.554714  1
  Al  Al82  1  0.639188  0.072871  0.524323  1
  Al  Al83  1  0.635695  0.472482  0.561468  1
  Al  Al84  1  0.643671  0.872043  0.598937  1
  Al  Al85  1  0.363465  0.161411  0.508357  1
  Al  Al86  1  0.370627  0.562165  0.544957  1
  Al  Al87  1  0.375206  0.962286  0.582557  1
  Al  Al88  1  0.865556  0.290635  0.554256  1
  Al  Al89  1  0.872884  0.690473  0.590807  1
  Al  Al90  1  0.873521  0.890540  0.516659  1
  Al  Al91  1  0.364945  0.244116  0.554714  1
  Al  Al92  1  0.371954  0.644763  0.591157  1
  Al  Al93  1  0.373528  0.843231  0.517251  1
  Al  Al94  1  0.866618  0.372043  0.598937  1
  Al  Al95  1  0.871101  0.572871  0.524323  1
  Al  Al96  1  0.874594  0.972482  0.561468  1
  Al  Al97  1  0.637405  0.190473  0.590807  1
  Al  Al98  1  0.636769  0.390540  0.516659  1
  Al  Al99  1  0.644734  0.790635  0.554256  1
  Al  Al100  1  0.899816  0.170114  0.543675  1
  Al  Al101  1  0.902351  0.570787  0.579964  1
  Al  Al102  1  0.907568  0.769955  0.507009  1
  Al  Al103  1  0.401534  0.363979  0.564555  1
  Al  Al104  1  0.409487  0.764654  0.602208  1
  Al  Al105  1  0.403838  0.963985  0.526789  1
  Al  Al106  1  0.100802  0.264654  0.602208  1
  Al  Al107  1  0.106452  0.463985  0.526789  1
  Al  Al108  1  0.108756  0.863979  0.564555  1
  Al  Al109  1  0.593239  0.268668  0.692263  1
  Al  Al110  1  0.598742  0.469933  0.616835  1
  Al  Al111  1  0.619214  0.871836  0.656439  1
  Al  Al112  1  0.127730  0.260587  0.658664  1
  Al  Al113  1  0.144709  0.658591  0.693364  1
  Al  Al114  1  0.144759  0.861596  0.620634  1
  Al  Al115  1  0.102650  0.335318  0.702288  1
  Al  Al116  1  0.138124  0.542789  0.627175  1
  Al  Al117  1  0.137738  0.942077  0.663421  1
  Al  Al118  1  0.631004  0.271947  0.637442  1
  Al  Al119  1  0.645884  0.668981  0.672786  1
  Al  Al120  1  0.630146  0.065489  0.707611  1
  Al  Al121  1  0.365531  0.361596  0.620634  1
  Al  Al122  1  0.382560  0.760587  0.658664  1
  Al  Al123  1  0.365580  0.158591  0.693364  1
  Al  Al124  1  0.865552  0.490887  0.663748  1
  Al  Al125  1  0.905057  0.886252  0.703536  1
  Al  Al126  1  0.874051  0.090492  0.627356  1
  Al  Al127  1  0.372551  0.442077  0.663421  1
  Al  Al128  1  0.407640  0.835318  0.702288  1
  Al  Al129  1  0.372166  0.042789  0.627175  1
  Al  Al130  1  0.880143  0.565489  0.707611  1
  Al  Al131  1  0.879285  0.771947  0.637442  1
  Al  Al132  1  0.864405  0.168981  0.672786  1
  Al  Al133  1  0.605232  0.386252  0.703536  1
  Al  Al134  1  0.636239  0.590492  0.627356  1
  Al  Al135  1  0.644738  0.990887  0.663748  1
  Al  Al136  1  0.891076  0.371836  0.656439  1
  Al  Al137  1  0.917050  0.768668  0.692263  1
  Al  Al138  1  0.911548  0.969933  0.616835  1
  Al  Al139  1  0.400353  0.561171  0.675020  1
  Al  Al140  1  0.423730  0.953078  0.707766  1
  Al  Al141  1  0.395498  0.164614  0.638478  1
  Al  Al142  1  0.086559  0.453078  0.707766  1
  Al  Al143  1  0.114792  0.664614  0.638478  1
  Al  Al144  1  0.109936  0.061171  0.675020  1
  Ni  Ni145  1  0.074041  0.847961  0.294319  1
  Ni  Ni146  1  0.084142  0.244075  0.332478  1
  Ni  Ni147  1  0.096980  0.642949  0.367471  1
  Ni  Ni148  1  0.426148  0.744075  0.332478  1
  Ni  Ni149  1  0.413310  0.142949  0.367471  1
  Ni  Ni150  1  0.436248  0.347961  0.294319  1
  Ni  Ni151  1  0.938912  0.598481  0.292756  1
  Ni  Ni152  1  0.905289  0.991459  0.331075  1
  Ni  Ni153  1  0.932042  0.391560  0.369257  1
  Ni  Ni154  1  0.578248  0.891560  0.369257  1
  Ni  Ni155  1  0.571377  0.098481  0.292756  1
  Ni  Ni156  1  0.605001  0.491459  0.331075  1
  Ni  Ni157  1  0.084529  0.043515  0.403782  1
  Ni  Ni158  1  0.091242  0.442969  0.442016  1
  Ni  Ni159  1  0.090452  0.843065  0.479502  1
  Ni  Ni160  1  0.419047  0.942969  0.442016  1
  Ni  Ni161  1  0.419837  0.343065  0.479502  1
  Ni  Ni162  1  0.425760  0.543515  0.403782  1
  Ni  Ni163  1  0.918995  0.789663  0.406656  1
  Ni  Ni164  1  0.916110  0.190031  0.443161  1
  Ni  Ni165  1  0.924178  0.590884  0.479537  1
  Ni  Ni166  1  0.586112  0.090884  0.479537  1
  Ni  Ni167  1  0.591294  0.289663  0.406656  1
  Ni  Ni168  1  0.594180  0.690031  0.443161  1
  Ni  Ni169  1  0.086112  0.243138  0.516726  1
  Ni  Ni170  1  0.094180  0.643990  0.553101  1
  Ni  Ni171  1  0.091294  0.044359  0.589606  1
  Ni  Ni172  1  0.416110  0.143990  0.553101  1
  Ni  Ni173  1  0.418995  0.544359  0.589606  1
  Ni  Ni174  1  0.424178  0.743138  0.516726  1
  Ni  Ni175  1  0.919837  0.990957  0.516760  1
  Ni  Ni176  1  0.919047  0.391052  0.554247  1
  Ni  Ni177  1  0.925760  0.790507  0.592480  1
  Ni  Ni178  1  0.584529  0.290507  0.592480  1
  Ni  Ni179  1  0.590452  0.490957  0.516760  1
  Ni  Ni180  1  0.591242  0.891052  0.554247  1
  Ni  Ni181  1  0.078248  0.442462  0.627006  1
  Ni  Ni182  1  0.105001  0.842563  0.665187  1
  Ni  Ni183  1  0.071377  0.235541  0.703506  1
  Ni  Ni184  1  0.405289  0.342563  0.665187  1
  Ni  Ni185  1  0.438912  0.735541  0.703506  1
  Ni  Ni186  1  0.432042  0.942462  0.627006  1
  Ni  Ni187  1  0.913310  0.191073  0.628792  1
  Ni  Ni188  1  0.926148  0.589947  0.663784  1
  Ni  Ni189  1  0.936248  0.986061  0.701944  1
  Ni  Ni190  1  0.574041  0.486061  0.701944  1
  Ni  Ni191  1  0.596980  0.691073  0.628792  1
  Ni  Ni192  1  0.584142  0.089947  0.663784  1
