# generated using pymatgen
data_AlNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.60459449
_cell_length_b   12.57970303
_cell_length_c   50.94850005
_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   7915.28007004
_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  0.091181  0.093960  0.336923  1
  Al  Al2  1  0.591474  0.593666  0.336584  1
  Al  Al3  1  0.658478  0.158601  0.288943  1
  Al  Al4  1  0.158050  0.660406  0.289004  1
  Al  Al5  1  0.906844  0.908312  0.288952  1
  Al  Al6  1  0.402514  0.404125  0.289763  1
  Al  Al7  1  0.342341  0.844495  0.336662  1
  Al  Al8  1  0.842825  0.345196  0.336421  1
  Al  Al9  1  0.031338  0.783018  0.351936  1
  Al  Al10  1  0.531363  0.283010  0.352092  1
  Al  Al11  1  0.594380  0.845851  0.306190  1
  Al  Al12  1  0.096001  0.346317  0.305457  1
  Al  Al13  1  0.781093  0.032844  0.351910  1
  Al  Al14  1  0.281720  0.533180  0.352045  1
  Al  Al15  1  0.342006  0.104950  0.305449  1
  Al  Al16  1  0.846483  0.588701  0.305417  1
  Al  Al17  1  0.965239  0.967070  0.423430  1
  Al  Al18  1  0.465263  0.467002  0.423403  1
  Al  Al19  1  0.529309  0.030686  0.379281  1
  Al  Al20  1  0.028930  0.531078  0.379421  1
  Al  Al21  1  0.779083  0.780450  0.379146  1
  Al  Al22  1  0.278944  0.280815  0.379485  1
  Al  Al23  1  0.215328  0.717140  0.423416  1
  Al  Al24  1  0.715387  0.217109  0.423422  1
  Al  Al25  1  0.903881  0.655804  0.438996  1
  Al  Al26  1  0.404029  0.155645  0.439023  1
  Al  Al27  1  0.467757  0.719752  0.395136  1
  Al  Al28  1  0.967665  0.219514  0.395329  1
  Al  Al29  1  0.653978  0.905676  0.438965  1
  Al  Al30  1  0.153952  0.405757  0.439058  1
  Al  Al31  1  0.217792  0.969606  0.395224  1
  Al  Al32  1  0.717651  0.469637  0.395244  1
  Al  Al33  1  0.838021  0.839779  0.510748  1
  Al  Al34  1  0.337916  0.339552  0.510724  1
  Al  Al35  1  0.401721  0.903489  0.466947  1
  Al  Al36  1  0.901689  0.403425  0.467020  1
  Al  Al37  1  0.651733  0.653436  0.466939  1
  Al  Al38  1  0.151662  0.153448  0.467023  1
  Al  Al39  1  0.087842  0.589633  0.510719  1
  Al  Al40  1  0.588085  0.089730  0.510755  1
  Al  Al41  1  0.776963  0.528289  0.526525  1
  Al  Al42  1  0.276559  0.028692  0.526528  1
  Al  Al43  1  0.340333  0.592108  0.482708  1
  Al  Al44  1  0.840384  0.092120  0.482836  1
  Al  Al45  1  0.526788  0.778512  0.526367  1
  Al  Al46  1  0.026745  0.278476  0.526660  1
  Al  Al47  1  0.090261  0.842209  0.482770  1
  Al  Al48  1  0.590457  0.342027  0.482783  1
  Al  Al49  1  0.711496  0.712457  0.598061  1
  Al  Al50  1  0.210451  0.212735  0.598526  1
  Al  Al51  1  0.273972  0.776227  0.554272  1
  Al  Al52  1  0.774652  0.275765  0.554605  1
  Al  Al53  1  0.524545  0.525638  0.554272  1
  Al  Al54  1  0.024096  0.026328  0.554603  1
  Al  Al55  1  0.961068  0.462105  0.598521  1
  Al  Al56  1  0.460808  0.963168  0.598066  1
  Al  Al57  1  0.650331  0.399754  0.613892  1
  Al  Al58  1  0.148102  0.901951  0.613887  1
  Al  Al59  1  0.213056  0.464763  0.570346  1
  Al  Al60  1  0.713119  0.964822  0.570383  1
  Al  Al61  1  0.399056  0.650698  0.612940  1
  Al  Al62  1  0.899249  0.150881  0.614583  1
  Al  Al63  1  0.963106  0.714752  0.570371  1
  Al  Al64  1  0.463056  0.214824  0.570383  1
  Al  Al65  1  0.578627  0.584941  0.681678  1
  Al  Al66  1  0.085862  0.082322  0.688021  1
  Al  Al67  1  0.146609  0.647660  0.641913  1
  Al  Al68  1  0.646757  0.149106  0.642139  1
  Al  Al69  1  0.396045  0.398235  0.641924  1
  Al  Al70  1  0.897494  0.898353  0.642129  1
  Al  Al71  1  0.830800  0.337435  0.688026  1
  Al  Al72  1  0.333393  0.830112  0.681690  1
  Al  Al73  1  0.520844  0.274616  0.705063  1
  Al  Al74  1  0.023065  0.772400  0.705068  1
  Al  Al75  1  0.086517  0.338170  0.657448  1
  Al  Al76  1  0.585187  0.836822  0.657208  1
  Al  Al77  1  0.272566  0.524082  0.705541  1
  Al  Al78  1  0.771017  0.022606  0.704743  1
  Al  Al79  1  0.834911  0.587877  0.657502  1
  Al  Al80  1  0.336226  0.086557  0.657504  1
  Ni  Ni81  1  0.218422  0.971569  0.307776  1
  Ni  Ni82  1  0.718892  0.468681  0.307585  1
  Ni  Ni83  1  0.655415  0.907042  0.350440  1
  Ni  Ni84  1  0.155538  0.407938  0.351017  1
  Ni  Ni85  1  0.093948  0.846803  0.308063  1
  Ni  Ni86  1  0.594138  0.345269  0.308056  1
  Ni  Ni87  1  0.531483  0.783494  0.350940  1
  Ni  Ni88  1  0.031475  0.282883  0.351557  1
  Ni  Ni89  1  0.216796  0.221375  0.336009  1
  Ni  Ni90  1  0.719214  0.718145  0.335892  1
  Ni  Ni91  1  0.783712  0.285173  0.293992  1
  Ni  Ni92  1  0.282299  0.785502  0.293631  1
  Ni  Ni93  1  0.967280  0.224212  0.307768  1
  Ni  Ni94  1  0.467949  0.720394  0.307290  1
  Ni  Ni95  1  0.405583  0.157397  0.350898  1
  Ni  Ni96  1  0.906076  0.656575  0.350370  1
  Ni  Ni97  1  0.844252  0.096227  0.308178  1
  Ni  Ni98  1  0.344099  0.595799  0.308003  1
  Ni  Ni99  1  0.280994  0.033913  0.351049  1
  Ni  Ni100  1  0.781234  0.533297  0.351321  1
  Ni  Ni101  1  0.030588  0.035437  0.293831  1
  Ni  Ni102  1  0.530711  0.531122  0.293702  1
  Ni  Ni103  1  0.466890  0.971961  0.335944  1
  Ni  Ni104  1  0.969644  0.468225  0.335716  1
  Ni  Ni105  1  0.154745  0.156383  0.379562  1
  Ni  Ni106  1  0.783468  0.780501  0.293927  1
  Ni  Ni107  1  0.717519  0.219530  0.335730  1
  Ni  Ni108  1  0.217836  0.719730  0.335611  1
  Ni  Ni109  1  0.152662  0.156319  0.294395  1
  Ni  Ni110  1  0.654262  0.655401  0.294002  1
  Ni  Ni111  1  0.594507  0.096012  0.336047  1
  Ni  Ni112  1  0.095252  0.596129  0.336262  1
  Ni  Ni113  1  0.155572  0.907475  0.351655  1
  Ni  Ni114  1  0.655226  0.407327  0.351661  1
  Ni  Ni115  1  0.720738  0.971192  0.307905  1
  Ni  Ni116  1  0.220739  0.470980  0.308458  1
  Ni  Ni117  1  0.967206  0.969204  0.335745  1
  Ni  Ni118  1  0.467208  0.468720  0.335758  1
  Ni  Ni119  1  0.532659  0.034458  0.293890  1
  Ni  Ni120  1  0.034697  0.535457  0.294221  1
  Ni  Ni121  1  0.844131  0.845529  0.336028  1
  Ni  Ni122  1  0.343128  0.344466  0.335679  1
  Ni  Ni123  1  0.403831  0.910841  0.294157  1
  Ni  Ni124  1  0.779186  0.281124  0.379673  1
  Ni  Ni125  1  0.905146  0.157392  0.351692  1
  Ni  Ni126  1  0.405576  0.657567  0.351535  1
  Ni  Ni127  1  0.471177  0.222078  0.308388  1
  Ni  Ni128  1  0.970251  0.721611  0.308134  1
  Ni  Ni129  1  0.092175  0.843973  0.395208  1
  Ni  Ni130  1  0.592221  0.343956  0.395250  1
  Ni  Ni131  1  0.528614  0.780358  0.438651  1
  Ni  Ni132  1  0.028543  0.280332  0.438774  1
  Ni  Ni133  1  0.966928  0.718877  0.395190  1
  Ni  Ni134  1  0.467135  0.218714  0.395309  1
  Ni  Ni135  1  0.403777  0.655605  0.438997  1
  Ni  Ni136  1  0.903692  0.155502  0.439089  1
  Ni  Ni137  1  0.090826  0.092599  0.423606  1
  Ni  Ni138  1  0.590717  0.592667  0.423513  1
  Ni  Ni139  1  0.654734  0.156322  0.380047  1
  Ni  Ni140  1  0.154688  0.656458  0.380067  1
  Ni  Ni141  1  0.842041  0.093937  0.395209  1
  Ni  Ni142  1  0.342329  0.594041  0.395219  1
  Ni  Ni143  1  0.278610  0.030316  0.438721  1
  Ni  Ni144  1  0.778559  0.530372  0.438704  1
  Ni  Ni145  1  0.717041  0.968526  0.395165  1
  Ni  Ni146  1  0.217082  0.469027  0.395338  1
  Ni  Ni147  1  0.153703  0.905581  0.439036  1
  Ni  Ni148  1  0.653729  0.405569  0.439055  1
  Ni  Ni149  1  0.904475  0.906266  0.380010  1
  Ni  Ni150  1  0.404265  0.405994  0.379958  1
  Ni  Ni151  1  0.340854  0.842671  0.423515  1
  Ni  Ni152  1  0.840761  0.342663  0.423594  1
  Ni  Ni153  1  0.027140  0.029002  0.467005  1
  Ni  Ni154  1  0.654241  0.656381  0.379382  1
  Ni  Ni155  1  0.590886  0.092441  0.423168  1
  Ni  Ni156  1  0.090690  0.592646  0.423212  1
  Ni  Ni157  1  0.028879  0.030806  0.379862  1
  Ni  Ni158  1  0.528778  0.530702  0.379747  1
  Ni  Ni159  1  0.465832  0.967432  0.423156  1
  Ni  Ni160  1  0.965698  0.467585  0.423292  1
  Ni  Ni161  1  0.028375  0.780230  0.439121  1
  Ni  Ni162  1  0.528524  0.280114  0.439160  1
  Ni  Ni163  1  0.592353  0.843959  0.395099  1
  Ni  Ni164  1  0.092278  0.344143  0.395349  1
  Ni  Ni165  1  0.840682  0.842471  0.423122  1
  Ni  Ni166  1  0.340767  0.342492  0.423237  1
  Ni  Ni167  1  0.404582  0.906664  0.379380  1
  Ni  Ni168  1  0.904712  0.406612  0.379660  1
  Ni  Ni169  1  0.715681  0.717476  0.423132  1
  Ni  Ni170  1  0.215751  0.217402  0.423282  1
  Ni  Ni171  1  0.279079  0.780883  0.379723  1
  Ni  Ni172  1  0.652112  0.153678  0.467074  1
  Ni  Ni173  1  0.778428  0.030125  0.439128  1
  Ni  Ni174  1  0.278456  0.530240  0.439147  1
  Ni  Ni175  1  0.342365  0.093954  0.395222  1
  Ni  Ni176  1  0.842181  0.594194  0.395191  1
  Ni  Ni177  1  0.964774  0.716606  0.482499  1
  Ni  Ni178  1  0.464899  0.216483  0.482512  1
  Ni  Ni179  1  0.401192  0.652883  0.526024  1
  Ni  Ni180  1  0.901255  0.152935  0.526358  1
  Ni  Ni181  1  0.840033  0.591769  0.482747  1
  Ni  Ni182  1  0.339983  0.091816  0.482758  1
  Ni  Ni183  1  0.276204  0.527960  0.526365  1
  Ni  Ni184  1  0.776384  0.028130  0.526583  1
  Ni  Ni185  1  0.963424  0.965353  0.511077  1
  Ni  Ni186  1  0.463509  0.465073  0.510958  1
  Ni  Ni187  1  0.527229  0.028912  0.467240  1
  Ni  Ni188  1  0.027076  0.528938  0.467275  1
  Ni  Ni189  1  0.714875  0.966570  0.482508  1
  Ni  Ni190  1  0.214795  0.466521  0.482497  1
  Ni  Ni191  1  0.150945  0.903190  0.526201  1
  Ni  Ni192  1  0.651509  0.402635  0.526205  1
  Ni  Ni193  1  0.590048  0.841811  0.482695  1
  Ni  Ni194  1  0.089972  0.341775  0.482802  1
  Ni  Ni195  1  0.026164  0.778189  0.526481  1
  Ni  Ni196  1  0.526441  0.277922  0.526489  1
  Ni  Ni197  1  0.777150  0.778953  0.467227  1
  Ni  Ni198  1  0.277132  0.278851  0.467279  1
  Ni  Ni199  1  0.213321  0.715273  0.510955  1
  Ni  Ni200  1  0.713618  0.215166  0.511082  1
  Ni  Ni201  1  0.899759  0.901704  0.554488  1
  Ni  Ni202  1  0.527202  0.528916  0.466942  1
  Ni  Ni203  1  0.463489  0.965397  0.510632  1
  Ni  Ni204  1  0.963513  0.465117  0.510707  1
  Ni  Ni205  1  0.901963  0.903763  0.467063  1
  Ni  Ni206  1  0.402026  0.403633  0.467069  1
  Ni  Ni207  1  0.338320  0.840269  0.510718  1
  Ni  Ni208  1  0.838542  0.339973  0.510838  1
  Ni  Ni209  1  0.901342  0.652890  0.526630  1
  Ni  Ni210  1  0.401202  0.153038  0.526640  1
  Ni  Ni211  1  0.464953  0.716673  0.482772  1
  Ni  Ni212  1  0.964945  0.216674  0.482931  1
  Ni  Ni213  1  0.713644  0.715222  0.510626  1
  Ni  Ni214  1  0.213363  0.215269  0.510711  1
  Ni  Ni215  1  0.277146  0.779029  0.466943  1
  Ni  Ni216  1  0.777231  0.278931  0.467010  1
  Ni  Ni217  1  0.588572  0.589996  0.510716  1
  Ni  Ni218  1  0.088287  0.090229  0.510838  1
  Ni  Ni219  1  0.151917  0.653764  0.467059  1
  Ni  Ni220  1  0.524816  0.026700  0.554488  1
  Ni  Ni221  1  0.651330  0.903017  0.526576  1
  Ni  Ni222  1  0.151224  0.402920  0.526676  1
  Ni  Ni223  1  0.214873  0.966747  0.482856  1
  Ni  Ni224  1  0.715021  0.466610  0.482857  1
  Ni  Ni225  1  0.837993  0.588951  0.570022  1
  Ni  Ni226  1  0.337287  0.089655  0.570029  1
  Ni  Ni227  1  0.274411  0.526046  0.613838  1
  Ni  Ni228  1  0.773647  0.025265  0.614032  1
  Ni  Ni229  1  0.713143  0.463836  0.570151  1
  Ni  Ni230  1  0.212115  0.964853  0.570152  1
  Ni  Ni231  1  0.149664  0.401382  0.614306  1
  Ni  Ni232  1  0.649018  0.900726  0.614027  1
  Ni  Ni233  1  0.836422  0.837961  0.598634  1
  Ni  Ni234  1  0.335866  0.337655  0.598570  1
  Ni  Ni235  1  0.399782  0.901938  0.554653  1
  Ni  Ni236  1  0.900041  0.401344  0.554921  1
  Ni  Ni237  1  0.587738  0.839407  0.569778  1
  Ni  Ni238  1  0.087606  0.339264  0.570214  1
  Ni  Ni239  1  0.024154  0.775469  0.613944  1
  Ni  Ni240  1  0.523859  0.275801  0.613958  1
  Ni  Ni241  1  0.462617  0.714328  0.569718  1
  Ni  Ni242  1  0.962664  0.214383  0.570504  1
  Ni  Ni243  1  0.899267  0.650908  0.614211  1
  Ni  Ni244  1  0.399199  0.150986  0.614219  1
  Ni  Ni245  1  0.650207  0.651493  0.554650  1
  Ni  Ni246  1  0.149630  0.151765  0.554924  1
  Ni  Ni247  1  0.085946  0.587569  0.598561  1
  Ni  Ni248  1  0.586266  0.088131  0.598642  1
  Ni  Ni249  1  0.772794  0.774634  0.642272  1
  Ni  Ni250  1  0.399663  0.401097  0.554253  1
  Ni  Ni251  1  0.335517  0.838423  0.597687  1
  Ni  Ni252  1  0.836731  0.337221  0.598481  1
  Ni  Ni253  1  0.775027  0.776471  0.554483  1
  Ni  Ni254  1  0.274502  0.276351  0.554581  1
  Ni  Ni255  1  0.210020  0.712477  0.597734  1
  Ni  Ni256  1  0.711469  0.212335  0.598484  1
  Ni  Ni257  1  0.774709  0.524655  0.613884  1
  Ni  Ni258  1  0.273028  0.026321  0.613890  1
  Ni  Ni259  1  0.337305  0.588954  0.569898  1
  Ni  Ni260  1  0.837626  0.089275  0.570586  1
  Ni  Ni261  1  0.586736  0.587170  0.597686  1
  Ni  Ni262  1  0.085561  0.088411  0.598482  1
  Ni  Ni263  1  0.149386  0.651382  0.554250  1
  Ni  Ni264  1  0.649987  0.151478  0.554493  1
  Ni  Ni265  1  0.460863  0.461611  0.597736  1
  Ni  Ni266  1  0.960733  0.963081  0.598480  1
  Ni  Ni267  1  0.024689  0.526156  0.554576  1
  Ni  Ni268  1  0.397443  0.900161  0.641017  1
  Ni  Ni269  1  0.523982  0.775602  0.613116  1
  Ni  Ni270  1  0.023936  0.275565  0.614427  1
  Ni  Ni271  1  0.087082  0.839566  0.570275  1
  Ni  Ni272  1  0.587926  0.338740  0.570282  1
  Ni  Ni273  1  0.711241  0.460393  0.657049  1
  Ni  Ni274  1  0.208825  0.962767  0.657042  1
  Ni  Ni275  1  0.146376  0.398030  0.700337  1
  Ni  Ni276  1  0.644710  0.896321  0.700794  1
  Ni  Ni277  1  0.583725  0.337671  0.658168  1
  Ni  Ni278  1  0.086038  0.835310  0.658161  1
  Ni  Ni279  1  0.022694  0.274359  0.699815  1
  Ni  Ni280  1  0.521321  0.772828  0.700618  1
  Ni  Ni281  1  0.706610  0.710027  0.686636  1
  Ni  Ni282  1  0.210298  0.209728  0.686619  1
  Ni  Ni283  1  0.270132  0.772581  0.640756  1
  Ni  Ni284  1  0.772723  0.273563  0.643224  1
  Ni  Ni285  1  0.460128  0.711686  0.655290  1
  Ni  Ni286  1  0.960124  0.211698  0.657901  1
  Ni  Ni287  1  0.893948  0.648757  0.700602  1
  Ni  Ni288  1  0.397137  0.145554  0.700602  1
  Ni  Ni289  1  0.336105  0.587723  0.657904  1
  Ni  Ni290  1  0.833751  0.085349  0.658160  1
  Ni  Ni291  1  0.766785  0.528005  0.700990  1
  Ni  Ni292  1  0.276350  0.018384  0.700969  1
  Ni  Ni293  1  0.520956  0.521734  0.640755  1
  Ni  Ni294  1  0.021963  0.024327  0.643222  1
  Ni  Ni295  1  0.958086  0.461969  0.686610  1
  Ni  Ni296  1  0.458375  0.958219  0.686645  1
  Ni  Ni297  1  0.600724  0.611698  0.725659  1
  Ni  Ni298  1  0.272581  0.273888  0.642434  1
  Ni  Ni299  1  0.210059  0.707207  0.685941  1
  Ni  Ni300  1  0.706409  0.211849  0.686182  1
  Ni  Ni301  1  0.648573  0.649011  0.641009  1
  Ni  Ni302  1  0.146568  0.149101  0.642684  1
  Ni  Ni303  1  0.083604  0.585436  0.686113  1
  Ni  Ni304  1  0.583655  0.085097  0.685989  1
  Ni  Ni305  1  0.640483  0.407161  0.701521  1
  Ni  Ni306  1  0.155665  0.891937  0.701504  1
  Ni  Ni307  1  0.211802  0.463440  0.658552  1
  Ni  Ni308  1  0.710151  0.961763  0.658340  1
  Ni  Ni309  1  0.455744  0.461617  0.685955  1
  Ni  Ni310  1  0.960275  0.957910  0.686171  1
  Ni  Ni311  1  0.022190  0.524273  0.642425  1
  Ni  Ni312  1  0.522952  0.024489  0.642281  1
  Ni  Ni313  1  0.333811  0.335238  0.686121  1
  Ni  Ni314  1  0.833490  0.835254  0.685983  1
  Ni  Ni315  1  0.897509  0.398154  0.642680  1
  Ni  Ni316  1  0.360519  0.852375  0.725655  1
  Ni  Ni317  1  0.399666  0.651169  0.702813  1
  Ni  Ni318  1  0.896096  0.147546  0.699979  1
  Ni  Ni319  1  0.960918  0.712303  0.658447  1
  Ni  Ni320  1  0.460684  0.212560  0.658453  1
