# generated using pymatgen
data_AlNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.37395678
_cell_length_b   12.35712192
_cell_length_c   49.84779098
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   78.46304097
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlNi3
_chemical_formula_sum   'Al80 Ni240'
_cell_volume   7468.05417914
_cell_formula_units_Z   80
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  0.006358  0.019799  0.278611  1
  Al  Al2  1  0.501186  0.495195  0.279472  1
  Al  Al3  1  0.405665  0.910671  0.325004  1
  Al  Al4  1  0.906734  0.404981  0.325558  1
  Al  Al5  1  0.156648  0.160427  0.324287  1
  Al  Al6  1  0.659514  0.659884  0.324895  1
  Al  Al7  1  0.771259  0.260763  0.277818  1
  Al  Al8  1  0.243656  0.755372  0.279600  1
  Al  Al9  1  0.862355  0.114887  0.348084  1
  Al  Al10  1  0.366527  0.618022  0.346970  1
  Al  Al11  1  0.456223  0.203082  0.301218  1
  Al  Al12  1  0.949666  0.709168  0.300626  1
  Al  Al13  1  0.112271  0.867558  0.347451  1
  Al  Al14  1  0.615427  0.364157  0.346786  1
  Al  Al15  1  0.700380  0.953897  0.302324  1
  Al  Al16  1  0.209247  0.454066  0.300092  1
  Al  Al17  1  0.824221  0.823138  0.370565  1
  Al  Al18  1  0.321348  0.325820  0.370526  1
  Al  Al19  1  0.237496  0.738267  0.414583  1
  Al  Al20  1  0.737653  0.240079  0.415983  1
  Al  Al21  1  0.988613  0.990392  0.416086  1
  Al  Al22  1  0.488008  0.489375  0.414578  1
  Al  Al23  1  0.570651  0.075147  0.370414  1
  Al  Al24  1  0.072541  0.571419  0.367478  1
  Al  Al25  1  0.696154  0.947700  0.438141  1
  Al  Al26  1  0.194839  0.448129  0.437949  1
  Al  Al27  1  0.278894  0.032484  0.392585  1
  Al  Al28  1  0.780260  0.530830  0.392687  1
  Al  Al29  1  0.947439  0.695766  0.437821  1
  Al  Al30  1  0.445272  0.198026  0.438314  1
  Al  Al31  1  0.530815  0.781024  0.392451  1
  Al  Al32  1  0.030210  0.281159  0.393139  1
  Al  Al33  1  0.654419  0.655618  0.461009  1
  Al  Al34  1  0.154688  0.155681  0.461554  1
  Al  Al35  1  0.070042  0.570689  0.506522  1
  Al  Al36  1  0.570092  0.071341  0.506588  1
  Al  Al37  1  0.820797  0.821436  0.506353  1
  Al  Al38  1  0.320032  0.321758  0.506315  1
  Al  Al39  1  0.403997  0.905311  0.460728  1
  Al  Al40  1  0.903828  0.405124  0.461146  1
  Al  Al41  1  0.527738  0.778892  0.529075  1
  Al  Al42  1  0.027855  0.279106  0.529415  1
  Al  Al43  1  0.112290  0.862839  0.483534  1
  Al  Al44  1  0.611480  0.363736  0.483693  1
  Al  Al45  1  0.777768  0.529177  0.529273  1
  Al  Al46  1  0.278637  0.028437  0.529413  1
  Al  Al47  1  0.362197  0.612730  0.483432  1
  Al  Al48  1  0.862211  0.113202  0.483913  1
  Al  Al49  1  0.487100  0.487195  0.552269  1
  Al  Al50  1  0.986811  0.987619  0.552191  1
  Al  Al51  1  0.902161  0.403347  0.597805  1
  Al  Al52  1  0.403127  0.902568  0.597991  1
  Al  Al53  1  0.652809  0.654004  0.598061  1
  Al  Al54  1  0.153396  0.153748  0.597953  1
  Al  Al55  1  0.235765  0.737154  0.551845  1
  Al  Al56  1  0.736464  0.237061  0.551860  1
  Al  Al57  1  0.359175  0.610132  0.619085  1
  Al  Al58  1  0.858830  0.110633  0.620089  1
  Al  Al59  1  0.943792  0.694888  0.574422  1
  Al  Al60  1  0.443580  0.195235  0.574728  1
  Al  Al61  1  0.611843  0.358697  0.620090  1
  Al  Al62  1  0.109206  0.861184  0.620218  1
  Al  Al63  1  0.194402  0.443648  0.574614  1
  Al  Al64  1  0.694031  0.944353  0.574669  1
  Al  Al65  1  0.320418  0.320307  0.644247  1
  Al  Al66  1  0.820373  0.820345  0.643713  1
  Al  Al67  1  0.735689  0.235758  0.689403  1
  Al  Al68  1  0.233469  0.731405  0.686813  1
  Al  Al69  1  0.484607  0.485547  0.685470  1
  Al  Al70  1  0.985754  0.986919  0.689032  1
  Al  Al71  1  0.068056  0.568377  0.641862  1
  Al  Al72  1  0.569153  0.069503  0.643488  1
  Al  Al73  1  0.180865  0.438851  0.711300  1
  Al  Al74  1  0.681757  0.931897  0.710528  1
  Al  Al75  1  0.774861  0.527040  0.665874  1
  Al  Al76  1  0.276035  0.024872  0.665486  1
  Al  Al77  1  0.433237  0.182931  0.711314  1
  Al  Al78  1  0.939153  0.679269  0.711307  1
  Al  Al79  1  0.025736  0.275968  0.664893  1
  Al  Al80  1  0.524170  0.773358  0.666779  1
  Ni  Ni81  1  0.196257  0.201044  0.369796  1
  Ni  Ni82  1  0.877813  0.890843  0.278251  1
  Ni  Ni83  1  0.783879  0.281055  0.325181  1
  Ni  Ni84  1  0.279908  0.786530  0.324759  1
  Ni  Ni85  1  0.956581  0.207856  0.300518  1
  Ni  Ni86  1  0.449604  0.703585  0.300556  1
  Ni  Ni87  1  0.362970  0.114763  0.347380  1
  Ni  Ni88  1  0.866915  0.613053  0.346523  1
  Ni  Ni89  1  0.283105  0.283520  0.325773  1
  Ni  Ni90  1  0.783081  0.784800  0.325463  1
  Ni  Ni91  1  0.896059  0.395286  0.278036  1
  Ni  Ni92  1  0.376556  0.881441  0.278580  1
  Ni  Ni93  1  0.030826  0.036985  0.325658  1
  Ni  Ni94  1  0.535809  0.534019  0.324495  1
  Ni  Ni95  1  0.638303  0.132494  0.278001  1
  Ni  Ni96  1  0.947688  0.447812  0.370398  1
  Ni  Ni97  1  0.199088  0.958527  0.300327  1
  Ni  Ni98  1  0.707266  0.450550  0.300203  1
  Ni  Ni99  1  0.613105  0.864706  0.347246  1
  Ni  Ni100  1  0.112974  0.368959  0.346408  1
  Ni  Ni101  1  0.139584  0.140874  0.276840  1
  Ni  Ni102  1  0.626881  0.628325  0.278919  1
  Ni  Ni103  1  0.531162  0.034062  0.325309  1
  Ni  Ni104  1  0.029111  0.530117  0.320391  1
  Ni  Ni105  1  0.327935  0.080372  0.300610  1
  Ni  Ni106  1  0.828289  0.579402  0.300254  1
  Ni  Ni107  1  0.737294  0.989546  0.348295  1
  Ni  Ni108  1  0.243734  0.491868  0.345525  1
  Ni  Ni109  1  0.904290  0.913101  0.325636  1
  Ni  Ni110  1  0.411322  0.404666  0.320408  1
  Ni  Ni111  1  0.507282  0.007187  0.278377  1
  Ni  Ni112  1  0.822502  0.323411  0.370347  1
  Ni  Ni113  1  0.236907  0.991594  0.347043  1
  Ni  Ni114  1  0.739027  0.490175  0.347015  1
  Ni  Ni115  1  0.827414  0.081582  0.301235  1
  Ni  Ni116  1  0.328318  0.580745  0.301387  1
  Ni  Ni117  1  0.082796  0.331891  0.299629  1
  Ni  Ni118  1  0.574055  0.828152  0.300947  1
  Ni  Ni119  1  0.487239  0.242204  0.347107  1
  Ni  Ni120  1  0.989538  0.741394  0.346517  1
  Ni  Ni121  1  0.271591  0.265834  0.278609  1
  Ni  Ni122  1  0.752228  0.759810  0.278770  1
  Ni  Ni123  1  0.658070  0.156310  0.325754  1
  Ni  Ni124  1  0.152168  0.659521  0.320851  1
  Ni  Ni125  1  0.989719  0.239124  0.347660  1
  Ni  Ni126  1  0.489257  0.741460  0.346820  1
  Ni  Ni127  1  0.587881  0.321339  0.300298  1
  Ni  Ni128  1  0.069839  0.838656  0.301157  1
  Ni  Ni129  1  0.029819  0.030792  0.461372  1
  Ni  Ni130  1  0.699653  0.698148  0.369980  1
  Ni  Ni131  1  0.611981  0.115895  0.415639  1
  Ni  Ni132  1  0.113307  0.612731  0.414105  1
  Ni  Ni133  1  0.779545  0.031704  0.393445  1
  Ni  Ni134  1  0.281449  0.531183  0.391446  1
  Ni  Ni135  1  0.196332  0.947197  0.438428  1
  Ni  Ni136  1  0.695931  0.447074  0.438175  1
  Ni  Ni137  1  0.113635  0.115138  0.416170  1
  Ni  Ni138  1  0.613640  0.614496  0.415447  1
  Ni  Ni139  1  0.696472  0.199267  0.370838  1
  Ni  Ni140  1  0.195711  0.697197  0.368146  1
  Ni  Ni141  1  0.864812  0.864276  0.415782  1
  Ni  Ni142  1  0.362227  0.365943  0.415740  1
  Ni  Ni143  1  0.446802  0.948792  0.370299  1
  Ni  Ni144  1  0.778791  0.280624  0.461296  1
  Ni  Ni145  1  0.030981  0.780602  0.392191  1
  Ni  Ni146  1  0.527788  0.283393  0.392565  1
  Ni  Ni147  1  0.446245  0.697574  0.437999  1
  Ni  Ni148  1  0.945858  0.197520  0.438681  1
  Ni  Ni149  1  0.947128  0.949833  0.370903  1
  Ni  Ni150  1  0.447609  0.448084  0.368039  1
  Ni  Ni151  1  0.362653  0.864439  0.415215  1
  Ni  Ni152  1  0.863066  0.364173  0.415726  1
  Ni  Ni153  1  0.154798  0.906760  0.392974  1
  Ni  Ni154  1  0.655088  0.406153  0.392548  1
  Ni  Ni155  1  0.571804  0.822122  0.437979  1
  Ni  Ni156  1  0.071083  0.321985  0.438595  1
  Ni  Ni157  1  0.740053  0.739037  0.415266  1
  Ni  Ni158  1  0.237172  0.241251  0.415353  1
  Ni  Ni159  1  0.320981  0.823714  0.369875  1
  Ni  Ni160  1  0.653477  0.156095  0.460998  1
  Ni  Ni161  1  0.071505  0.821787  0.437883  1
  Ni  Ni162  1  0.569838  0.323337  0.438134  1
  Ni  Ni163  1  0.654978  0.906462  0.392731  1
  Ni  Ni164  1  0.153324  0.408268  0.392307  1
  Ni  Ni165  1  0.904591  0.156751  0.393335  1
  Ni  Ni166  1  0.405543  0.657097  0.392516  1
  Ni  Ni167  1  0.320362  0.073160  0.438131  1
  Ni  Ni168  1  0.820884  0.572115  0.438249  1
  Ni  Ni169  1  0.072622  0.074551  0.370953  1
  Ni  Ni170  1  0.572651  0.574176  0.369937  1
  Ni  Ni171  1  0.487884  0.989820  0.415606  1
  Ni  Ni172  1  0.987900  0.488636  0.415885  1
  Ni  Ni173  1  0.821003  0.072595  0.438651  1
  Ni  Ni174  1  0.321402  0.571932  0.437494  1
  Ni  Ni175  1  0.403876  0.157167  0.392889  1
  Ni  Ni176  1  0.907477  0.653990  0.392155  1
  Ni  Ni177  1  0.861718  0.862686  0.551965  1
  Ni  Ni178  1  0.529126  0.530589  0.460650  1
  Ni  Ni179  1  0.445149  0.946154  0.506307  1
  Ni  Ni180  1  0.944812  0.446144  0.506498  1
  Ni  Ni181  1  0.612461  0.862934  0.483528  1
  Ni  Ni182  1  0.112182  0.362731  0.483984  1
  Ni  Ni183  1  0.028355  0.778466  0.529072  1
  Ni  Ni184  1  0.528442  0.278670  0.529176  1
  Ni  Ni185  1  0.945884  0.946368  0.506666  1
  Ni  Ni186  1  0.445435  0.446524  0.506640  1
  Ni  Ni187  1  0.528950  0.030568  0.461046  1
  Ni  Ni188  1  0.028904  0.529778  0.461188  1
  Ni  Ni189  1  0.695400  0.696608  0.506578  1
  Ni  Ni190  1  0.195788  0.196389  0.507019  1
  Ni  Ni191  1  0.279057  0.779482  0.460628  1
  Ni  Ni192  1  0.611316  0.112155  0.552238  1
  Ni  Ni193  1  0.861734  0.613235  0.483693  1
  Ni  Ni194  1  0.361555  0.113761  0.483671  1
  Ni  Ni195  1  0.277390  0.529052  0.528750  1
  Ni  Ni196  1  0.777731  0.029148  0.529118  1
  Ni  Ni197  1  0.780155  0.780299  0.460774  1
  Ni  Ni198  1  0.278640  0.281309  0.460897  1
  Ni  Ni199  1  0.194922  0.695838  0.506019  1
  Ni  Ni200  1  0.695007  0.196415  0.506418  1
  Ni  Ni201  1  0.987800  0.737283  0.483468  1
  Ni  Ni202  1  0.486834  0.238444  0.483749  1
  Ni  Ni203  1  0.403052  0.653570  0.529272  1
  Ni  Ni204  1  0.903188  0.153835  0.529211  1
  Ni  Ni205  1  0.570181  0.571725  0.506479  1
  Ni  Ni206  1  0.070932  0.071550  0.506781  1
  Ni  Ni207  1  0.154053  0.654345  0.460125  1
  Ni  Ni208  1  0.486237  0.987156  0.551921  1
  Ni  Ni209  1  0.902773  0.654090  0.529087  1
  Ni  Ni210  1  0.402678  0.154398  0.529222  1
  Ni  Ni211  1  0.486914  0.738226  0.483529  1
  Ni  Ni212  1  0.986938  0.238294  0.484041  1
  Ni  Ni213  1  0.737008  0.988424  0.483627  1
  Ni  Ni214  1  0.236264  0.488575  0.483420  1
  Ni  Ni215  1  0.153149  0.903795  0.529130  1
  Ni  Ni216  1  0.652800  0.404372  0.529235  1
  Ni  Ni217  1  0.905286  0.905372  0.461195  1
  Ni  Ni218  1  0.403832  0.406207  0.461153  1
  Ni  Ni219  1  0.320347  0.820489  0.506465  1
  Ni  Ni220  1  0.819885  0.321447  0.506703  1
  Ni  Ni221  1  0.653139  0.903691  0.529111  1
  Ni  Ni222  1  0.153273  0.403383  0.529313  1
  Ni  Ni223  1  0.237536  0.987749  0.483895  1
  Ni  Ni224  1  0.736769  0.488248  0.483741  1
  Ni  Ni225  1  0.694645  0.696400  0.643882  1
  Ni  Ni226  1  0.361532  0.362420  0.551625  1
  Ni  Ni227  1  0.276700  0.778973  0.597657  1
  Ni  Ni228  1  0.778096  0.277887  0.597377  1
  Ni  Ni229  1  0.443777  0.694069  0.575093  1
  Ni  Ni230  1  0.944019  0.194355  0.574501  1
  Ni  Ni231  1  0.859734  0.610439  0.620157  1
  Ni  Ni232  1  0.360565  0.108958  0.620373  1
  Ni  Ni233  1  0.778363  0.778647  0.597821  1
  Ni  Ni234  1  0.278242  0.278282  0.598309  1
  Ni  Ni235  1  0.361588  0.861461  0.552220  1
  Ni  Ni236  1  0.861007  0.362315  0.552177  1
  Ni  Ni237  1  0.529194  0.527925  0.598038  1
  Ni  Ni238  1  0.027889  0.029121  0.597803  1
  Ni  Ni239  1  0.111254  0.611447  0.551861  1
  Ni  Ni240  1  0.445694  0.943145  0.643871  1
  Ni  Ni241  1  0.694012  0.444947  0.574772  1
  Ni  Ni242  1  0.193741  0.944731  0.574642  1
  Ni  Ni243  1  0.108738  0.360469  0.620246  1
  Ni  Ni244  1  0.609343  0.859799  0.619753  1
  Ni  Ni245  1  0.611359  0.612830  0.552239  1
  Ni  Ni246  1  0.112108  0.112524  0.552271  1
  Ni  Ni247  1  0.026841  0.527587  0.597005  1
  Ni  Ni248  1  0.527681  0.028385  0.597587  1
  Ni  Ni249  1  0.818816  0.569921  0.574764  1
  Ni  Ni250  1  0.319523  0.069125  0.574939  1
  Ni  Ni251  1  0.235842  0.483697  0.619832  1
  Ni  Ni252  1  0.734570  0.984801  0.620244  1
  Ni  Ni253  1  0.403147  0.403027  0.596752  1
  Ni  Ni254  1  0.902719  0.904480  0.597618  1
  Ni  Ni255  1  0.985839  0.486888  0.551805  1
  Ni  Ni256  1  0.318021  0.821481  0.643746  1
  Ni  Ni257  1  0.735025  0.485496  0.620347  1
  Ni  Ni258  1  0.234671  0.985318  0.620120  1
  Ni  Ni259  1  0.318374  0.569447  0.574028  1
  Ni  Ni260  1  0.818453  0.069941  0.574613  1
  Ni  Ni261  1  0.568622  0.819397  0.574534  1
  Ni  Ni262  1  0.068583  0.319777  0.574830  1
  Ni  Ni263  1  0.984372  0.736020  0.619676  1
  Ni  Ni264  1  0.484298  0.235718  0.620227  1
  Ni  Ni265  1  0.736800  0.737576  0.552179  1
  Ni  Ni266  1  0.236993  0.237416  0.552623  1
  Ni  Ni267  1  0.152445  0.652126  0.597166  1
  Ni  Ni268  1  0.652770  0.153260  0.597995  1
  Ni  Ni269  1  0.484578  0.734958  0.620816  1
  Ni  Ni270  1  0.984571  0.234834  0.619831  1
  Ni  Ni271  1  0.068801  0.819771  0.574656  1
  Ni  Ni272  1  0.570045  0.318925  0.574612  1
  Ni  Ni273  1  0.508383  0.509160  0.731800  1
  Ni  Ni274  1  0.195997  0.195397  0.643735  1
  Ni  Ni275  1  0.109830  0.609099  0.686195  1
  Ni  Ni276  1  0.610327  0.112056  0.689682  1
  Ni  Ni277  1  0.278341  0.524069  0.665084  1
  Ni  Ni278  1  0.774638  0.023553  0.665687  1
  Ni  Ni279  1  0.689108  0.426761  0.712110  1
  Ni  Ni280  1  0.176681  0.939511  0.712306  1
  Ni  Ni281  1  0.612064  0.606166  0.691525  1
  Ni  Ni282  1  0.110638  0.113678  0.689242  1
  Ni  Ni283  1  0.193703  0.693055  0.642175  1
  Ni  Ni284  1  0.694012  0.193884  0.643828  1
  Ni  Ni285  1  0.360574  0.362961  0.690829  1
  Ni  Ni286  1  0.863091  0.859476  0.690285  1
  Ni  Ni287  1  0.942994  0.445115  0.643575  1
  Ni  Ni288  1  0.261497  0.761115  0.732607  1
  Ni  Ni289  1  0.523783  0.277534  0.665565  1
  Ni  Ni290  1  0.025372  0.777237  0.664795  1
  Ni  Ni291  1  0.932567  0.182591  0.711794  1
  Ni  Ni292  1  0.433352  0.683688  0.709765  1
  Ni  Ni293  1  0.444995  0.444358  0.641532  1
  Ni  Ni294  1  0.944042  0.946448  0.643323  1
  Ni  Ni295  1  0.862385  0.359760  0.688960  1
  Ni  Ni296  1  0.355099  0.860777  0.690945  1
  Ni  Ni297  1  0.653135  0.399300  0.665341  1
  Ni  Ni298  1  0.149994  0.901973  0.665626  1
  Ni  Ni299  1  0.058054  0.309099  0.711491  1
  Ni  Ni300  1  0.557233  0.806355  0.712911  1
  Ni  Ni301  1  0.236843  0.238069  0.690047  1
  Ni  Ni302  1  0.736516  0.734772  0.690322  1
  Ni  Ni303  1  0.819969  0.318755  0.643037  1
  Ni  Ni304  1  0.132333  0.629448  0.733174  1
  Ni  Ni305  1  0.555058  0.312518  0.712031  1
  Ni  Ni306  1  0.061345  0.807999  0.711268  1
  Ni  Ni307  1  0.149885  0.401902  0.665355  1
  Ni  Ni308  1  0.648891  0.898427  0.665039  1
  Ni  Ni309  1  0.399165  0.651219  0.663853  1
  Ni  Ni310  1  0.899851  0.150568  0.665347  1
  Ni  Ni311  1  0.809493  0.556799  0.712452  1
  Ni  Ni312  1  0.306954  0.058404  0.711821  1
  Ni  Ni313  1  0.572004  0.569998  0.644174  1
  Ni  Ni314  1  0.070071  0.071118  0.643447  1
  Ni  Ni315  1  0.985376  0.485995  0.689814  1
  Ni  Ni316  1  0.485321  0.984310  0.690184  1
  Ni  Ni317  1  0.312490  0.558545  0.711845  1
  Ni  Ni318  1  0.807213  0.057058  0.711959  1
  Ni  Ni319  1  0.901231  0.650774  0.665334  1
  Ni  Ni320  1  0.400723  0.149549  0.665549  1
