# generated using pymatgen
data_Al3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.85950261
_cell_length_b   24.36380452
_cell_length_c   53.97191736
_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   6390.05759574
_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  0.614807  0.669426  0.357781  1
  Al  Al2  1  0.586572  0.880992  0.288501  1
  Al  Al3  1  0.609945  0.272882  0.321242  1
  Al  Al4  1  0.145876  0.665071  0.323477  1
  Al  Al5  1  0.131005  0.062092  0.358819  1
  Al  Al6  1  0.130109  0.268579  0.288651  1
  Al  Al7  1  0.136229  0.743539  0.368903  1
  Al  Al8  1  0.105213  0.947804  0.292718  1
  Al  Al9  1  0.144724  0.343155  0.332514  1
  Al  Al10  1  0.644701  0.675463  0.302893  1
  Al  Al11  1  0.627728  0.073455  0.337594  1
  Al  Al12  1  0.644747  0.472436  0.375621  1
  Al  Al13  1  0.380228  0.768579  0.288651  1
  Al  Al14  1  0.364461  0.165071  0.323477  1
  Al  Al15  1  0.379331  0.562092  0.358819  1
  Al  Al16  1  0.872629  0.891976  0.332843  1
  Al  Al17  1  0.872224  0.291251  0.369089  1
  Al  Al18  1  0.907704  0.498746  0.293969  1
  Al  Al19  1  0.365613  0.843155  0.332514  1
  Al  Al20  1  0.374108  0.243539  0.368903  1
  Al  Al21  1  0.405124  0.447804  0.292718  1
  Al  Al22  1  0.865590  0.972436  0.375621  1
  Al  Al23  1  0.865635  0.175463  0.302893  1
  Al  Al24  1  0.882608  0.573455  0.337594  1
  Al  Al25  1  0.638113  0.791251  0.369089  1
  Al  Al26  1  0.602632  0.998746  0.293969  1
  Al  Al27  1  0.637708  0.391976  0.332843  1
  Al  Al28  1  0.900391  0.772882  0.321242  1
  Al  Al29  1  0.895529  0.169426  0.357781  1
  Al  Al30  1  0.923765  0.380992  0.288501  1
  Al  Al31  1  0.391111  0.962202  0.339817  1
  Al  Al32  1  0.411575  0.364098  0.379429  1
  Al  Al33  1  0.417082  0.565387  0.303997  1
  Al  Al34  1  0.098762  0.864098  0.379429  1
  Al  Al35  1  0.093254  0.065387  0.303997  1
  Al  Al36  1  0.119226  0.462202  0.339817  1
  Al  Al37  1  0.606468  0.870024  0.469472  1
  Al  Al38  1  0.600825  0.069374  0.394051  1
  Al  Al39  1  0.608784  0.470039  0.431704  1
  Al  Al40  1  0.135671  0.861538  0.434797  1
  Al  Al41  1  0.139185  0.261138  0.471942  1
  Al  Al42  1  0.143656  0.461989  0.397325  1
  Al  Al43  1  0.136751  0.943459  0.479600  1
  Al  Al44  1  0.137403  0.143547  0.405451  1
  Al  Al45  1  0.144728  0.543375  0.442002  1
  Al  Al46  1  0.635058  0.871732  0.413702  1
  Al  Al47  1  0.639659  0.271844  0.451303  1
  Al  Al48  1  0.646826  0.672590  0.487902  1
  Al  Al49  1  0.366680  0.961989  0.397325  1
  Al  Al50  1  0.374666  0.361538  0.434797  1
  Al  Al51  1  0.371152  0.761138  0.471942  1
  Al  Al52  1  0.864996  0.089904  0.441546  1
  Al  Al53  1  0.873592  0.490779  0.479011  1
  Al  Al54  1  0.872002  0.689266  0.405105  1
  Al  Al55  1  0.365609  0.043375  0.442002  1
  Al  Al56  1  0.373586  0.443459  0.479600  1
  Al  Al57  1  0.372934  0.643547  0.405451  1
  Al  Al58  1  0.863511  0.172590  0.487902  1
  Al  Al59  1  0.875279  0.371732  0.413702  1
  Al  Al60  1  0.870677  0.771844  0.451303  1
  Al  Al61  1  0.636745  0.990779  0.479011  1
  Al  Al62  1  0.638334  0.189266  0.405105  1
  Al  Al63  1  0.645341  0.589904  0.441546  1
  Al  Al64  1  0.901553  0.970039  0.431704  1
  Al  Al65  1  0.903868  0.370024  0.469472  1
  Al  Al66  1  0.909511  0.569374  0.394051  1
  Al  Al67  1  0.399839  0.163898  0.452586  1
  Al  Al68  1  0.407593  0.564046  0.489250  1
  Al  Al69  1  0.402368  0.763233  0.416299  1
  Al  Al70  1  0.102744  0.064046  0.489250  1
  Al  Al71  1  0.107969  0.263233  0.416299  1
  Al  Al72  1  0.110498  0.663898  0.452586  1
  Al  Al73  1  0.607969  0.070745  0.579962  1
  Al  Al74  1  0.602744  0.269932  0.507010  1
  Al  Al75  1  0.610498  0.670080  0.543675  1
  Al  Al76  1  0.139659  0.062134  0.544958  1
  Al  Al77  1  0.135058  0.462246  0.582558  1
  Al  Al78  1  0.146826  0.661389  0.508358  1
  Al  Al79  1  0.138334  0.144712  0.591156  1
  Al  Al80  1  0.136745  0.343199  0.517250  1
  Al  Al81  1  0.145341  0.744075  0.554714  1
  Al  Al82  1  0.639185  0.072841  0.524318  1
  Al  Al83  1  0.635671  0.472440  0.561463  1
  Al  Al84  1  0.643656  0.871990  0.598936  1
  Al  Al85  1  0.363511  0.161389  0.508358  1
  Al  Al86  1  0.370677  0.562134  0.544958  1
  Al  Al87  1  0.375279  0.962246  0.582558  1
  Al  Al88  1  0.865609  0.290604  0.554258  1
  Al  Al89  1  0.872934  0.690431  0.590809  1
  Al  Al90  1  0.873586  0.890519  0.516660  1
  Al  Al91  1  0.364996  0.244075  0.554714  1
  Al  Al92  1  0.372002  0.644712  0.591156  1
  Al  Al93  1  0.373592  0.843199  0.517250  1
  Al  Al94  1  0.866680  0.371990  0.598936  1
  Al  Al95  1  0.871152  0.572841  0.524318  1
  Al  Al96  1  0.874666  0.972440  0.561463  1
  Al  Al97  1  0.637403  0.190431  0.590809  1
  Al  Al98  1  0.636751  0.390519  0.516660  1
  Al  Al99  1  0.644728  0.790604  0.554258  1
  Al  Al100  1  0.899839  0.170080  0.543675  1
  Al  Al101  1  0.902368  0.570745  0.579962  1
  Al  Al102  1  0.907593  0.769932  0.507010  1
  Al  Al103  1  0.401553  0.363939  0.564557  1
  Al  Al104  1  0.409511  0.764604  0.602210  1
  Al  Al105  1  0.403868  0.963954  0.526788  1
  Al  Al106  1  0.100825  0.264604  0.602210  1
  Al  Al107  1  0.106468  0.463954  0.526788  1
  Al  Al108  1  0.108784  0.863939  0.564557  1
  Al  Al109  1  0.593254  0.268592  0.692263  1
  Al  Al110  1  0.598762  0.469880  0.616831  1
  Al  Al111  1  0.619226  0.871776  0.656443  1
  Al  Al112  1  0.127728  0.260524  0.658667  1
  Al  Al113  1  0.144701  0.658515  0.693368  1
  Al  Al114  1  0.144747  0.861542  0.620639  1
  Al  Al115  1  0.102632  0.335232  0.702292  1
  Al  Al116  1  0.138113  0.542728  0.627172  1
  Al  Al117  1  0.137708  0.942003  0.663417  1
  Al  Al118  1  0.631005  0.271886  0.637442  1
  Al  Al119  1  0.645876  0.668908  0.672783  1
  Al  Al120  1  0.630109  0.065399  0.707609  1
  Al  Al121  1  0.365590  0.361542  0.620639  1
  Al  Al122  1  0.382608  0.760524  0.658667  1
  Al  Al123  1  0.365635  0.158515  0.693368  1
  Al  Al124  1  0.865613  0.490824  0.663747  1
  Al  Al125  1  0.905124  0.886174  0.703542  1
  Al  Al126  1  0.874108  0.090440  0.627357  1
  Al  Al127  1  0.372629  0.442003  0.663417  1
  Al  Al128  1  0.407704  0.835232  0.702292  1
  Al  Al129  1  0.372224  0.042728  0.627172  1
  Al  Al130  1  0.880228  0.565399  0.707609  1
  Al  Al131  1  0.879331  0.771886  0.637442  1
  Al  Al132  1  0.864461  0.168908  0.672783  1
  Al  Al133  1  0.605213  0.386174  0.703542  1
  Al  Al134  1  0.636229  0.590440  0.627357  1
  Al  Al135  1  0.644724  0.990824  0.663747  1
  Al  Al136  1  0.891111  0.371776  0.656443  1
  Al  Al137  1  0.917082  0.768592  0.692263  1
  Al  Al138  1  0.911575  0.969880  0.616831  1
  Al  Al139  1  0.400391  0.561096  0.675019  1
  Al  Al140  1  0.423765  0.952986  0.707759  1
  Al  Al141  1  0.395529  0.164552  0.638479  1
  Al  Al142  1  0.086572  0.452986  0.707759  1
  Al  Al143  1  0.114807  0.664552  0.638479  1
  Al  Al144  1  0.109945  0.061096  0.675019  1
  Ni  Ni145  1  0.074060  0.847998  0.294320  1
  Ni  Ni146  1  0.084153  0.244099  0.332477  1
  Ni  Ni147  1  0.096993  0.642960  0.367469  1
  Ni  Ni148  1  0.426183  0.744099  0.332477  1
  Ni  Ni149  1  0.413344  0.142960  0.367469  1
  Ni  Ni150  1  0.436277  0.347998  0.294320  1
  Ni  Ni151  1  0.938940  0.598519  0.292753  1
  Ni  Ni152  1  0.905316  0.991487  0.331068  1
  Ni  Ni153  1  0.932075  0.391577  0.369255  1
  Ni  Ni154  1  0.578261  0.891577  0.369255  1
  Ni  Ni155  1  0.571396  0.098519  0.292753  1
  Ni  Ni156  1  0.605021  0.491487  0.331068  1
  Ni  Ni157  1  0.084546  0.043515  0.403779  1
  Ni  Ni158  1  0.091263  0.442960  0.442015  1
  Ni  Ni159  1  0.090464  0.843045  0.479504  1
  Ni  Ni160  1  0.419074  0.942960  0.442015  1
  Ni  Ni161  1  0.419873  0.343045  0.479504  1
  Ni  Ni162  1  0.425791  0.543515  0.403779  1
  Ni  Ni163  1  0.919019  0.789668  0.406655  1
  Ni  Ni164  1  0.916138  0.190027  0.443159  1
  Ni  Ni165  1  0.924208  0.590871  0.479533  1
  Ni  Ni166  1  0.586128  0.090871  0.479533  1
  Ni  Ni167  1  0.591318  0.289668  0.406655  1
  Ni  Ni168  1  0.594199  0.690027  0.443159  1
  Ni  Ni169  1  0.086128  0.243108  0.516727  1
  Ni  Ni170  1  0.094199  0.643951  0.553101  1
  Ni  Ni171  1  0.091318  0.044311  0.589605  1
  Ni  Ni172  1  0.416138  0.143951  0.553101  1
  Ni  Ni173  1  0.419019  0.544311  0.589605  1
  Ni  Ni174  1  0.424208  0.743108  0.516727  1
  Ni  Ni175  1  0.919873  0.990934  0.516756  1
  Ni  Ni176  1  0.919074  0.391019  0.554246  1
  Ni  Ni177  1  0.925791  0.790463  0.592481  1
  Ni  Ni178  1  0.584546  0.290463  0.592481  1
  Ni  Ni179  1  0.590464  0.490934  0.516756  1
  Ni  Ni180  1  0.591263  0.891019  0.554246  1
  Ni  Ni181  1  0.078261  0.442401  0.627006  1
  Ni  Ni182  1  0.105021  0.842492  0.665192  1
  Ni  Ni183  1  0.071396  0.235460  0.703507  1
  Ni  Ni184  1  0.405316  0.342492  0.665192  1
  Ni  Ni185  1  0.438940  0.735460  0.703507  1
  Ni  Ni186  1  0.432075  0.942401  0.627006  1
  Ni  Ni187  1  0.913344  0.191019  0.628791  1
  Ni  Ni188  1  0.926183  0.589879  0.663783  1
  Ni  Ni189  1  0.936277  0.985981  0.701940  1
  Ni  Ni190  1  0.574060  0.485981  0.701940  1
  Ni  Ni191  1  0.596993  0.691019  0.628791  1
  Ni  Ni192  1  0.584153  0.089879  0.663783  1
