# generated using pymatgen
data_AlNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.51734468
_cell_length_b   12.49760039
_cell_length_c   50.31972576
_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   7712.81168131
_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  0.938122  0.187410  0.304737  1
  Al  Al2  1  0.435602  0.688178  0.304721  1
  Al  Al3  1  0.356989  0.106637  0.350382  1
  Al  Al4  1  0.856336  0.607350  0.349796  1
  Al  Al5  1  0.185172  0.940341  0.304736  1
  Al  Al6  1  0.686027  0.437826  0.304726  1
  Al  Al7  1  0.605329  0.858300  0.349778  1
  Al  Al8  1  0.104642  0.358932  0.350373  1
  Al  Al9  1  0.900714  0.902816  0.328996  1
  Al  Al10  1  0.397272  0.399486  0.325517  1
  Al  Al11  1  0.489711  0.991614  0.284178  1
  Al  Al12  1  0.989241  0.492089  0.284182  1
  Al  Al13  1  0.245304  0.247647  0.284706  1
  Al  Al14  1  0.738606  0.740951  0.284027  1
  Al  Al15  1  0.653800  0.152814  0.329455  1
  Al  Al16  1  0.150782  0.655811  0.329441  1
  Al  Al17  1  0.773771  0.025225  0.396298  1
  Al  Al18  1  0.275096  0.524525  0.395922  1
  Al  Al19  1  0.190687  0.941783  0.441916  1
  Al  Al20  1  0.690639  0.441824  0.441802  1
  Al  Al21  1  0.023577  0.775448  0.396289  1
  Al  Al22  1  0.522825  0.276813  0.395903  1
  Al  Al23  1  0.440361  0.692066  0.441782  1
  Al  Al24  1  0.940330  0.192123  0.441909  1
  Al  Al25  1  0.733101  0.734709  0.419129  1
  Al  Al26  1  0.233256  0.234843  0.419406  1
  Al  Al27  1  0.318134  0.820043  0.373997  1
  Al  Al28  1  0.818171  0.319989  0.374004  1
  Al  Al29  1  0.067685  0.069515  0.374120  1
  Al  Al30  1  0.566808  0.568608  0.373684  1
  Al  Al31  1  0.484025  0.985358  0.419594  1
  Al  Al32  1  0.983805  0.485582  0.419593  1
  Al  Al33  1  0.607067  0.857901  0.487420  1
  Al  Al34  1  0.106954  0.358001  0.487521  1
  Al  Al35  1  0.023256  0.773846  0.533032  1
  Al  Al36  1  0.523334  0.273813  0.532988  1
  Al  Al37  1  0.856730  0.608258  0.487416  1
  Al  Al38  1  0.356830  0.108133  0.487514  1
  Al  Al39  1  0.272879  0.524261  0.532977  1
  Al  Al40  1  0.772921  0.024172  0.533019  1
  Al  Al41  1  0.565589  0.566671  0.510322  1
  Al  Al42  1  0.065725  0.066806  0.510435  1
  Al  Al43  1  0.150128  0.650856  0.464864  1
  Al  Al44  1  0.649516  0.151470  0.464859  1
  Al  Al45  1  0.899479  0.900767  0.465014  1
  Al  Al46  1  0.399395  0.400697  0.465049  1
  Al  Al47  1  0.316163  0.816964  0.510671  1
  Al  Al48  1  0.815920  0.317208  0.510675  1
  Al  Al49  1  0.439364  0.689594  0.578661  1
  Al  Al50  1  0.939427  0.189511  0.578489  1
  Al  Al51  1  0.854787  0.605153  0.623899  1
  Al  Al52  1  0.355243  0.104931  0.624043  1
  Al  Al53  1  0.688936  0.440024  0.578655  1
  Al  Al54  1  0.188839  0.940098  0.578476  1
  Al  Al55  1  0.104534  0.355652  0.624037  1
  Al  Al56  1  0.604745  0.855188  0.623895  1
  Al  Al57  1  0.398499  0.399094  0.601209  1
  Al  Al58  1  0.898939  0.899504  0.601827  1
  Al  Al59  1  0.982396  0.483332  0.556180  1
  Al  Al60  1  0.482520  0.983207  0.556180  1
  Al  Al61  1  0.732132  0.732926  0.556098  1
  Al  Al62  1  0.232113  0.232896  0.556219  1
  Al  Al63  1  0.149300  0.649730  0.602019  1
  Al  Al64  1  0.649200  0.149834  0.602013  1
  Al  Al65  1  0.273130  0.521404  0.669389  1
  Al  Al66  1  0.770857  0.021224  0.669113  1
  Al  Al67  1  0.688288  0.430575  0.713838  1
  Al  Al68  1  0.184012  0.934539  0.713932  1
  Al  Al69  1  0.521234  0.273253  0.669360  1
  Al  Al70  1  0.021054  0.771002  0.669112  1
  Al  Al71  1  0.934640  0.183897  0.713928  1
  Al  Al72  1  0.430673  0.688172  0.713803  1
  Al  Al73  1  0.237544  0.237591  0.693053  1
  Al  Al74  1  0.736139  0.736198  0.693321  1
  Al  Al75  1  0.818307  0.316845  0.647801  1
  Al  Al76  1  0.316533  0.818621  0.647788  1
  Al  Al77  1  0.567187  0.567423  0.648454  1
  Al  Al78  1  0.066872  0.067122  0.648144  1
  Al  Al79  1  0.988674  0.488891  0.693414  1
  Al  Al80  1  0.488876  0.988687  0.693419  1
  Ni  Ni81  1  0.062867  0.313613  0.304572  1
  Ni  Ni82  1  0.560659  0.812571  0.304292  1
  Ni  Ni83  1  0.480467  0.234967  0.350215  1
  Ni  Ni84  1  0.980390  0.733135  0.350718  1
  Ni  Ni85  1  0.990738  0.992992  0.284398  1
  Ni  Ni86  1  0.484056  0.486283  0.284851  1
  Ni  Ni87  1  0.402365  0.904954  0.329132  1
  Ni  Ni88  1  0.902876  0.404433  0.329128  1
  Ni  Ni89  1  0.117965  0.120276  0.283575  1
  Ni  Ni90  1  0.612000  0.614308  0.283867  1
  Ni  Ni91  1  0.526904  0.030460  0.329189  1
  Ni  Ni92  1  0.028298  0.529034  0.329200  1
  Ni  Ni93  1  0.311332  0.065129  0.304585  1
  Ni  Ni94  1  0.810329  0.562948  0.304308  1
  Ni  Ni95  1  0.731160  0.982300  0.350727  1
  Ni  Ni96  1  0.232944  0.482432  0.350244  1
  Ni  Ni97  1  0.150322  0.152464  0.329027  1
  Ni  Ni98  1  0.650325  0.652435  0.328719  1
  Ni  Ni99  1  0.742159  0.239954  0.284399  1
  Ni  Ni100  1  0.237629  0.744492  0.284389  1
  Ni  Ni101  1  0.273653  0.275751  0.330565  1
  Ni  Ni102  1  0.775646  0.777752  0.329360  1
  Ni  Ni103  1  0.865431  0.366179  0.284291  1
  Ni  Ni104  1  0.363853  0.867747  0.284298  1
  Ni  Ni105  1  0.025842  0.027905  0.329559  1
  Ni  Ni106  1  0.524586  0.526577  0.329089  1
  Ni  Ni107  1  0.615565  0.115913  0.284048  1
  Ni  Ni108  1  0.113543  0.617928  0.284034  1
  Ni  Ni109  1  0.855657  0.107896  0.350475  1
  Ni  Ni110  1  0.355320  0.609669  0.350305  1
  Ni  Ni111  1  0.435418  0.191524  0.304889  1
  Ni  Ni112  1  0.935153  0.688609  0.305158  1
  Ni  Ni113  1  0.980656  0.232637  0.350212  1
  Ni  Ni114  1  0.480851  0.732950  0.350059  1
  Ni  Ni115  1  0.565470  0.310392  0.304797  1
  Ni  Ni116  1  0.059927  0.814212  0.304536  1
  Ni  Ni117  1  0.192633  0.194465  0.373962  1
  Ni  Ni118  1  0.864572  0.866914  0.283447  1
  Ni  Ni119  1  0.778477  0.278935  0.329212  1
  Ni  Ni120  1  0.276878  0.780530  0.329204  1
  Ni  Ni121  1  0.105980  0.857629  0.350480  1
  Ni  Ni122  1  0.607799  0.357287  0.350350  1
  Ni  Ni123  1  0.686322  0.937431  0.305159  1
  Ni  Ni124  1  0.189162  0.437769  0.304923  1
  Ni  Ni125  1  0.230658  0.982690  0.350204  1
  Ni  Ni126  1  0.731018  0.482866  0.350062  1
  Ni  Ni127  1  0.811984  0.062167  0.304525  1
  Ni  Ni128  1  0.308115  0.567660  0.304731  1
  Ni  Ni129  1  0.898620  0.150627  0.396239  1
  Ni  Ni130  1  0.398650  0.650824  0.396067  1
  Ni  Ni131  1  0.315465  0.066940  0.441861  1
  Ni  Ni132  1  0.815297  0.567123  0.441769  1
  Ni  Ni133  1  0.817438  0.819226  0.374239  1
  Ni  Ni134  1  0.317403  0.319182  0.374535  1
  Ni  Ni135  1  0.234055  0.735412  0.419667  1
  Ni  Ni136  1  0.733873  0.235599  0.419678  1
  Ni  Ni137  1  0.942548  0.944357  0.374061  1
  Ni  Ni138  1  0.441110  0.442991  0.372058  1
  Ni  Ni139  1  0.358954  0.860481  0.419425  1
  Ni  Ni140  1  0.858893  0.360547  0.419429  1
  Ni  Ni141  1  0.148931  0.900337  0.396246  1
  Ni  Ni142  1  0.649138  0.400375  0.396100  1
  Ni  Ni143  1  0.565656  0.816724  0.441773  1
  Ni  Ni144  1  0.065485  0.316903  0.441867  1
  Ni  Ni145  1  0.983358  0.984941  0.419421  1
  Ni  Ni146  1  0.482639  0.484271  0.418535  1
  Ni  Ni147  1  0.567596  0.070792  0.374044  1
  Ni  Ni148  1  0.068930  0.569451  0.374055  1
  Ni  Ni149  1  0.108394  0.109964  0.419504  1
  Ni  Ni150  1  0.607837  0.609398  0.419199  1
  Ni  Ni151  1  0.693287  0.194951  0.374466  1
  Ni  Ni152  1  0.193186  0.695056  0.374450  1
  Ni  Ni153  1  0.858333  0.859844  0.419556  1
  Ni  Ni154  1  0.358177  0.359705  0.419661  1
  Ni  Ni155  1  0.443720  0.944516  0.374238  1
  Ni  Ni156  1  0.942694  0.445529  0.374236  1
  Ni  Ni157  1  0.690009  0.942289  0.441685  1
  Ni  Ni158  1  0.190306  0.441964  0.441912  1
  Ni  Ni159  1  0.273722  0.025475  0.396072  1
  Ni  Ni160  1  0.773295  0.525648  0.395997  1
  Ni  Ni161  1  0.815459  0.066802  0.441907  1
  Ni  Ni162  1  0.316014  0.566253  0.441666  1
  Ni  Ni163  1  0.398837  0.150128  0.396213  1
  Ni  Ni164  1  0.898722  0.649796  0.395841  1
  Ni  Ni165  1  0.024523  0.025840  0.464886  1
  Ni  Ni166  1  0.692266  0.694118  0.373618  1
  Ni  Ni167  1  0.608345  0.111304  0.419330  1
  Ni  Ni168  1  0.109731  0.609918  0.419339  1
  Ni  Ni169  1  0.940864  0.691463  0.441702  1
  Ni  Ni170  1  0.440543  0.191746  0.441922  1
  Ni  Ni171  1  0.523914  0.774988  0.395997  1
  Ni  Ni172  1  0.023750  0.275432  0.396076  1
  Ni  Ni173  1  0.065373  0.816911  0.441897  1
  Ni  Ni174  1  0.564792  0.317498  0.441651  1
  Ni  Ni175  1  0.648052  0.900433  0.395821  1
  Ni  Ni176  1  0.148420  0.400534  0.396200  1
  Ni  Ni177  1  0.731619  0.983373  0.487398  1
  Ni  Ni178  1  0.231728  0.483180  0.487484  1
  Ni  Ni179  1  0.147940  0.899199  0.533012  1
  Ni  Ni180  1  0.647850  0.399274  0.533081  1
  Ni  Ni181  1  0.649262  0.650564  0.464799  1
  Ni  Ni182  1  0.149471  0.150778  0.464990  1
  Ni  Ni183  1  0.066056  0.567052  0.510647  1
  Ni  Ni184  1  0.566013  0.067094  0.510643  1
  Ni  Ni185  1  0.774394  0.775726  0.464672  1
  Ni  Ni186  1  0.274393  0.275712  0.464887  1
  Ni  Ni187  1  0.191054  0.692073  0.510442  1
  Ni  Ni188  1  0.690994  0.192132  0.510441  1
  Ni  Ni189  1  0.982194  0.732812  0.487414  1
  Ni  Ni190  1  0.482001  0.232919  0.487494  1
  Ni  Ni191  1  0.398337  0.648782  0.533088  1
  Ni  Ni192  1  0.898263  0.148871  0.533025  1
  Ni  Ni193  1  0.815695  0.816772  0.510350  1
  Ni  Ni194  1  0.315622  0.316693  0.510390  1
  Ni  Ni195  1  0.399894  0.901076  0.464941  1
  Ni  Ni196  1  0.899748  0.401227  0.464943  1
  Ni  Ni197  1  0.940738  0.941769  0.510585  1
  Ni  Ni198  1  0.440680  0.441724  0.510605  1
  Ni  Ni199  1  0.524846  0.026124  0.465084  1
  Ni  Ni200  1  0.024833  0.526136  0.465086  1
  Ni  Ni201  1  0.690667  0.691700  0.510453  1
  Ni  Ni202  1  0.190734  0.191762  0.510584  1
  Ni  Ni203  1  0.274992  0.776089  0.465117  1
  Ni  Ni204  1  0.774807  0.276278  0.465123  1
  Ni  Ni205  1  0.523054  0.774021  0.533026  1
  Ni  Ni206  1  0.022925  0.274283  0.533092  1
  Ni  Ni207  1  0.106798  0.858205  0.487483  1
  Ni  Ni208  1  0.606541  0.358391  0.487407  1
  Ni  Ni209  1  0.648148  0.898888  0.533008  1
  Ni  Ni210  1  0.148195  0.398924  0.533108  1
  Ni  Ni211  1  0.232055  0.982891  0.487521  1
  Ni  Ni212  1  0.731906  0.482986  0.487437  1
  Ni  Ni213  1  0.857253  0.858054  0.556084  1
  Ni  Ni214  1  0.524220  0.525559  0.464536  1
  Ni  Ni215  1  0.441178  0.942038  0.510535  1
  Ni  Ni216  1  0.940986  0.442233  0.510536  1
  Ni  Ni217  1  0.773103  0.523983  0.533035  1
  Ni  Ni218  1  0.273358  0.023850  0.533099  1
  Ni  Ni219  1  0.357190  0.607731  0.487417  1
  Ni  Ni220  1  0.857019  0.107973  0.487494  1
  Ni  Ni221  1  0.897953  0.649096  0.533004  1
  Ni  Ni222  1  0.397991  0.149130  0.533099  1
  Ni  Ni223  1  0.481778  0.733094  0.487422  1
  Ni  Ni224  1  0.981687  0.233252  0.487514  1
  Ni  Ni225  1  0.564039  0.814723  0.578519  1
  Ni  Ni226  1  0.063939  0.315069  0.578606  1
  Ni  Ni227  1  0.979802  0.730218  0.623957  1
  Ni  Ni228  1  0.479801  0.230940  0.624131  1
  Ni  Ni229  1  0.482190  0.482981  0.556318  1
  Ni  Ni230  1  0.982264  0.983043  0.556262  1
  Ni  Ni231  1  0.899217  0.400033  0.602182  1
  Ni  Ni232  1  0.399517  0.899732  0.602184  1
  Ni  Ni233  1  0.607090  0.607895  0.556070  1
  Ni  Ni234  1  0.107199  0.108018  0.556027  1
  Ni  Ni235  1  0.024313  0.524852  0.601925  1
  Ni  Ni236  1  0.524309  0.024855  0.601924  1
  Ni  Ni237  1  0.814055  0.564711  0.578525  1
  Ni  Ni238  1  0.314396  0.064603  0.578613  1
  Ni  Ni239  1  0.230517  0.480238  0.624153  1
  Ni  Ni240  1  0.729779  0.980235  0.623960  1
  Ni  Ni241  1  0.648940  0.649479  0.601906  1
  Ni  Ni242  1  0.149025  0.149589  0.601780  1
  Ni  Ni243  1  0.232343  0.733503  0.556102  1
  Ni  Ni244  1  0.732676  0.233170  0.556107  1
  Ni  Ni245  1  0.773903  0.774432  0.601803  1
  Ni  Ni246  1  0.273695  0.274211  0.601958  1
  Ni  Ni247  1  0.357614  0.858130  0.556349  1
  Ni  Ni248  1  0.857354  0.358390  0.556350  1
  Ni  Ni249  1  0.524135  0.524639  0.602286  1
  Ni  Ni250  1  0.024199  0.024699  0.602129  1
  Ni  Ni251  1  0.107611  0.608249  0.556314  1
  Ni  Ni252  1  0.607482  0.108377  0.556309  1
  Ni  Ni253  1  0.354047  0.606293  0.623578  1
  Ni  Ni254  1  0.854616  0.105275  0.623912  1
  Ni  Ni255  1  0.939051  0.689818  0.578539  1
  Ni  Ni256  1  0.439017  0.190122  0.578646  1
  Ni  Ni257  1  0.480018  0.729887  0.624201  1
  Ni  Ni258  1  0.980337  0.229561  0.623851  1
  Ni  Ni259  1  0.064157  0.814601  0.578559  1
  Ni  Ni260  1  0.564551  0.314338  0.578390  1
  Ni  Ni261  1  0.692128  0.692380  0.647794  1
  Ni  Ni262  1  0.357045  0.357857  0.555850  1
  Ni  Ni263  1  0.274125  0.775494  0.601889  1
  Ni  Ni264  1  0.774945  0.274676  0.601900  1
  Ni  Ni265  1  0.605859  0.354491  0.623600  1
  Ni  Ni266  1  0.104873  0.855020  0.623922  1
  Ni  Ni267  1  0.189462  0.439685  0.578660  1
  Ni  Ni268  1  0.689144  0.939719  0.578542  1
  Ni  Ni269  1  0.729478  0.480433  0.624194  1
  Ni  Ni270  1  0.229118  0.980777  0.623837  1
  Ni  Ni271  1  0.313628  0.565257  0.578375  1
  Ni  Ni272  1  0.813915  0.064839  0.578547  1
  Ni  Ni273  1  0.395378  0.648583  0.668355  1
  Ni  Ni274  1  0.895970  0.146348  0.668762  1
  Ni  Ni275  1  0.809430  0.558747  0.714208  1
  Ni  Ni276  1  0.309530  0.059589  0.713724  1
  Ni  Ni277  1  0.316680  0.316950  0.647781  1
  Ni  Ni278  1  0.816926  0.817221  0.647624  1
  Ni  Ni279  1  0.737469  0.238094  0.693349  1
  Ni  Ni280  1  0.238178  0.737374  0.693357  1
  Ni  Ni281  1  0.440965  0.441302  0.646129  1
  Ni  Ni282  1  0.941675  0.941948  0.647569  1
  Ni  Ni283  1  0.864721  0.362265  0.693191  1
  Ni  Ni284  1  0.362263  0.864718  0.693177  1
  Ni  Ni285  1  0.648404  0.395529  0.668390  1
  Ni  Ni286  1  0.146215  0.896079  0.668771  1
  Ni  Ni287  1  0.059654  0.309457  0.713732  1
  Ni  Ni288  1  0.558807  0.809336  0.714216  1
  Ni  Ni289  1  0.485287  0.485370  0.689618  1
  Ni  Ni290  1  0.987455  0.987417  0.693022  1
  Ni  Ni291  1  0.067282  0.567694  0.647880  1
  Ni  Ni292  1  0.567386  0.067605  0.647877  1
  Ni  Ni293  1  0.609683  0.609624  0.695155  1
  Ni  Ni294  1  0.112636  0.112619  0.693588  1
  Ni  Ni295  1  0.192297  0.692141  0.647800  1
  Ni  Ni296  1  0.691901  0.192550  0.647791  1
  Ni  Ni297  1  0.362296  0.362258  0.693797  1
  Ni  Ni298  1  0.862312  0.862324  0.693535  1
  Ni  Ni299  1  0.942064  0.443213  0.648159  1
  Ni  Ni300  1  0.442976  0.942311  0.648162  1
  Ni  Ni301  1  0.185444  0.434528  0.713570  1
  Ni  Ni302  1  0.684331  0.934061  0.713271  1
  Ni  Ni303  1  0.769880  0.522360  0.669323  1
  Ni  Ni304  1  0.270764  0.022130  0.668743  1
  Ni  Ni305  1  0.314594  0.555999  0.715028  1
  Ni  Ni306  1  0.809279  0.058944  0.714433  1
  Ni  Ni307  1  0.895146  0.646276  0.668572  1
  Ni  Ni308  1  0.396607  0.146641  0.668691  1
  Ni  Ni309  1  0.511058  0.510885  0.734542  1
  Ni  Ni310  1  0.192089  0.192366  0.647682  1
  Ni  Ni311  1  0.114527  0.613180  0.693869  1
  Ni  Ni312  1  0.613175  0.114540  0.693864  1
  Ni  Ni313  1  0.434579  0.185395  0.713576  1
  Ni  Ni314  1  0.934095  0.684319  0.713274  1
  Ni  Ni315  1  0.021976  0.270943  0.668753  1
  Ni  Ni316  1  0.522241  0.770030  0.669327  1
  Ni  Ni317  1  0.556162  0.314449  0.714987  1
  Ni  Ni318  1  0.059074  0.809171  0.714429  1
  Ni  Ni319  1  0.146472  0.396811  0.668684  1
  Ni  Ni320  1  0.646083  0.895369  0.668566  1
