# generated using pymatgen
data_Al3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   18.88130959
_cell_length_b   9.20022501
_cell_length_c   49.00909421
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   82.20259219
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni
_chemical_formula_sum   'Al180 Ni60'
_cell_volume   8434.76648582
_cell_formula_units_Z   60
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  0.821769  0.119333  0.342579  1
  Al  Al2  1  0.142166  0.030210  0.367566  1
  Al  Al3  1  0.505866  0.216274  0.314838  1
  Al  Al4  1  0.898724  0.406408  0.318553  1
  Al  Al5  1  0.209361  0.319602  0.347316  1
  Al  Al6  1  0.580725  0.495852  0.292545  1
  Al  Al7  1  0.865533  0.825682  0.366557  1
  Al  Al8  1  0.230457  0.006873  0.310717  1
  Al  Al9  1  0.545779  0.912647  0.340466  1
  Al  Al10  1  0.945298  0.632347  0.290648  1
  Al  Al11  1  0.272212  0.506338  0.314578  1
  Al  Al12  1  0.589891  0.402924  0.344800  1
  Al  Al13  1  0.058171  0.426437  0.312536  1
  Al  Al14  1  0.375848  0.324841  0.342304  1
  Al  Al15  1  0.696915  0.233920  0.370136  1
  Al  Al16  1  0.093815  0.932157  0.315574  1
  Al  Al17  1  0.418590  0.817069  0.346118  1
  Al  Al18  1  0.795803  0.988410  0.292383  1
  Al  Al19  1  0.033475  0.845663  0.362523  1
  Al  Al20  1  0.392246  0.036154  0.306917  1
  Al  Al21  1  0.712272  0.933946  0.335957  1
  Al  Al22  1  0.075809  0.334517  0.366074  1
  Al  Al23  1  0.439036  0.513220  0.310057  1
  Al  Al24  1  0.759707  0.425214  0.337861  1
  Al  Al25  1  0.933696  0.899918  0.320214  1
  Al  Al26  1  0.252547  0.797553  0.350021  1
  Al  Al27  1  0.611660  0.987692  0.294510  1
  Al  Al28  1  0.994807  0.161107  0.332212  1
  Al  Al29  1  0.309871  0.065007  0.357419  1
  Al  Al30  1  0.683331  0.230583  0.308014  1
  Al  Al31  1  0.143065  0.607205  0.346336  1
  Al  Al32  1  0.493033  0.786731  0.293194  1
  Al  Al33  1  0.816980  0.695717  0.319494  1
  Al  Al34  1  0.973823  0.582760  0.353577  1
  Al  Al35  1  0.333783  0.759127  0.301275  1
  Al  Al36  1  0.654111  0.665982  0.328350  1
  Al  Al37  1  0.775400  0.846917  0.425142  1
  Al  Al38  1  0.093748  0.758443  0.452296  1
  Al  Al39  1  0.458329  0.936494  0.397071  1
  Al  Al40  1  0.844261  0.131876  0.402168  1
  Al  Al41  1  0.162537  0.042284  0.429868  1
  Al  Al42  1  0.524109  0.220581  0.375301  1
  Al  Al43  1  0.817450  0.554114  0.450483  1
  Al  Al44  1  0.182334  0.735438  0.394852  1
  Al  Al45  1  0.499047  0.641954  0.423257  1
  Al  Al46  1  0.908019  0.314074  0.370945  1
  Al  Al47  1  0.226417  0.222308  0.398552  1
  Al  Al48  1  0.543034  0.131195  0.427200  1
  Al  Al49  1  0.014277  0.145688  0.396959  1
  Al  Al50  1  0.329782  0.051892  0.426174  1
  Al  Al51  1  0.648016  0.961599  0.454248  1
  Al  Al52  1  0.055795  0.635715  0.401120  1
  Al  Al53  1  0.372612  0.542087  0.430043  1
  Al  Al54  1  0.739716  0.722380  0.374084  1
  Al  Al55  1  0.986512  0.568394  0.446392  1
  Al  Al56  1  0.350009  0.748852  0.391178  1
  Al  Al57  1  0.669060  0.656240  0.419209  1
  Al  Al58  1  0.028973  0.055971  0.449688  1
  Al  Al59  1  0.391577  0.234799  0.394570  1
  Al  Al60  1  0.711296  0.144709  0.422683  1
  Al  Al61  1  0.888925  0.622167  0.405997  1
  Al  Al62  1  0.206428  0.529906  0.434018  1
  Al  Al63  1  0.571644  0.705592  0.379046  1
  Al  Al64  1  0.948119  0.884917  0.413588  1
  Al  Al65  1  0.264534  0.793284  0.441664  1
  Al  Al66  1  0.629915  0.970821  0.387080  1
  Al  Al67  1  0.097277  0.338781  0.427479  1
  Al  Al68  1  0.461299  0.516601  0.372754  1
  Al  Al69  1  0.782062  0.428449  0.399693  1
  Al  Al70  1  0.926689  0.304326  0.437958  1
  Al  Al71  1  0.290232  0.486000  0.382570  1
  Al  Al72  1  0.607789  0.392031  0.410747  1
  Al  Al73  1  0.727635  0.574508  0.508743  1
  Al  Al74  1  0.047111  0.485822  0.536069  1
  Al  Al75  1  0.410476  0.664630  0.481003  1
  Al  Al76  1  0.797346  0.860401  0.485599  1
  Al  Al77  1  0.115354  0.770337  0.513600  1
  Al  Al78  1  0.479354  0.949020  0.458380  1
  Al  Al79  1  0.769992  0.281912  0.534031  1
  Al  Al80  1  0.135225  0.462759  0.478263  1
  Al  Al81  1  0.452343  0.370046  0.506748  1
  Al  Al82  1  0.861356  0.042726  0.454206  1
  Al  Al83  1  0.178911  0.952046  0.482110  1
  Al  Al84  1  0.495335  0.858910  0.510529  1
  Al  Al85  1  0.966201  0.873136  0.481444  1
  Al  Al86  1  0.282624  0.780000  0.509863  1
  Al  Al87  1  0.600179  0.689320  0.537767  1
  Al  Al88  1  1.009192  0.361999  0.485225  1
  Al  Al89  1  0.326311  0.269287  0.513710  1
  Al  Al90  1  0.691544  0.450134  0.457942  1
  Al  Al91  1  0.938678  0.296322  0.529962  1
  Al  Al92  1  0.302879  0.475562  0.474918  1
  Al  Al93  1  0.620531  0.384141  0.502712  1
  Al  Al94  1  0.982181  0.783026  0.533592  1
  Al  Al95  1  0.346182  0.961709  0.478373  1
  Al  Al96  1  0.664190  0.871645  0.506374  1
  Al  Al97  1  0.841005  0.347904  0.489260  1
  Al  Al98  1  0.158656  0.256483  0.517055  1
  Al  Al99  1  0.522857  0.435724  0.462011  1
  Al  Al100  1  0.900578  0.611787  0.497307  1
  Al  Al101  1  0.217375  0.520116  0.525305  1
  Al  Al102  1  0.582415  0.699572  0.470155  1
  Al  Al103  1  0.051060  0.067416  0.510969  1
  Al  Al104  1  0.414425  0.246223  0.455904  1
  Al  Al105  1  0.733900  0.157538  0.483230  1
  Al  Al106  1  0.879121  0.032473  0.521818  1
  Al  Al107  1  0.244161  0.211930  0.466667  1
  Al  Al108  1  0.560957  0.120259  0.494666  1
  Al  Al109  1  0.679474  0.303596  0.592280  1
  Al  Al110  1  1.000237  0.215445  0.619219  1
  Al  Al111  1  0.364258  0.393265  0.564494  1
  Al  Al112  1  0.750240  0.587336  0.569290  1
  Al  Al113  1  0.069959  0.497247  0.597403  1
  Al  Al114  1  0.432562  0.676075  0.542285  1
  Al  Al115  1  0.721820  0.009666  0.617889  1
  Al  Al116  1  0.088924  0.189959  0.561930  1
  Al  Al117  1  0.405741  0.096330  0.590853  1
  Al  Al118  1  0.813520  0.770447  0.537725  1
  Al  Al119  1  0.131754  0.680153  0.565799  1
  Al  Al120  1  0.447259  0.586358  0.595014  1
  Al  Al121  1  0.918502  0.600851  0.564772  1
  Al  Al122  1  0.235118  0.509738  0.593421  1
  Al  Al123  1  0.553517  0.417971  0.621027  1
  Al  Al124  1  0.962489  0.090091  0.568716  1
  Al  Al125  1  0.279201  0.996608  0.597120  1
  Al  Al126  1  0.644086  0.177932  0.541490  1
  Al  Al127  1  0.889892  0.026454  0.612927  1
  Al  Al128  1  0.255108  0.202140  0.557955  1
  Al  Al129  1  0.572611  0.109879  0.585975  1
  Al  Al130  1  0.937426  0.511465  0.616672  1
  Al  Al131  1  0.298998  0.689762  0.562105  1
  Al  Al132  1  0.617275  0.600170  0.589805  1
  Al  Al133  1  0.792475  0.075805  0.572764  1
  Al  Al134  1  0.111526  0.983194  0.600795  1
  Al  Al135  1  0.475024  0.163652  0.545580  1
  Al  Al136  1  0.853747  0.340015  0.581226  1
  Al  Al137  1  0.171304  0.246046  0.609402  1
  Al  Al138  1  0.534846  0.427720  0.554014  1
  Al  Al139  1  1.003207  0.795552  0.594902  1
  Al  Al140  1  0.367788  0.973603  0.539676  1
  Al  Al141  1  0.686136  0.885129  0.566831  1
  Al  Al142  1  0.831621  0.761224  0.604893  1
  Al  Al143  1  0.197002  0.938762  0.550308  1
  Al  Al144  1  0.513417  0.847129  0.578384  1
  Al  Al145  1  0.644556  0.036329  0.672479  1
  Al  Al146  1  0.968503  0.945314  0.698778  1
  Al  Al147  1  0.318470  0.124840  0.645636  1
  Al  Al148  1  0.701829  0.306832  0.654111  1
  Al  Al149  1  0.022500  0.218826  0.681916  1
  Al  Al150  1  0.385727  0.397528  0.625898  1
  Al  Al151  1  0.665732  0.743636  0.699590  1
  Al  Al152  1  0.042945  0.914976  0.645855  1
  Al  Al153  1  0.367721  0.799889  0.676398  1
  Al  Al154  1  0.764621  0.498125  0.621836  1
  Al  Al155  1  0.085687  0.407205  0.649668  1
  Al  Al156  1  0.403365  0.305609  0.679436  1
  Al  Al157  1  0.871645  0.329121  0.647173  1
  Al  Al158  1  0.189324  0.225708  0.677395  1
  Al  Al159  1  0.516238  0.099699  0.701325  1
  Al  Al160  1  0.915757  0.819399  0.651507  1
  Al  Al161  1  0.231079  0.725173  0.681256  1
  Al  Al162  1  0.596003  0.906363  0.625416  1
  Al  Al163  1  0.849876  0.744354  0.697463  1
  Al  Al164  1  0.208989  0.934492  0.641951  1
  Al  Al165  1  0.527839  0.832128  0.671758  1
  Al  Al166  1  0.880811  0.236193  0.699427  1
  Al  Al167  1  0.252175  0.412444  0.644656  1
  Al  Al168  1  0.562812  0.325638  0.673419  1
  Al  Al169  1  0.749264  0.798100  0.656015  1
  Al  Al170  1  0.069289  0.695892  0.685056  1
  Al  Al171  1  0.428061  0.886383  0.629450  1
  Al  Al172  1  0.807425  0.066063  0.663623  1
  Al  Al173  1  0.127753  0.972919  0.690698  1
  Al  Al174  1  0.487713  0.149285  0.638396  1
  Al  Al175  1  0.955670  0.515771  0.677134  1
  Al  Al176  1  0.319370  0.701836  0.624407  1
  Al  Al177  1  0.639766  0.612712  0.649394  1
  Al  Al178  1  0.778204  0.501462  0.683958  1
  Al  Al179  1  0.151665  0.667039  0.634553  1
  Al  Al180  1  0.466729  0.570939  0.659761  1
  Ni  Ni181  1  0.124235  0.182027  0.324799  1
  Ni  Ni182  1  0.439291  0.080666  0.353315  1
  Ni  Ni183  1  0.810396  0.259830  0.298967  1
  Ni  Ni184  1  0.931360  0.034681  0.367353  1
  Ni  Ni185  1  0.288577  0.228853  0.311233  1
  Ni  Ni186  1  0.610905  0.121457  0.341892  1
  Ni  Ni187  1  0.847500  0.555353  0.361257  1
  Ni  Ni188  1  0.193861  0.741188  0.306618  1
  Ni  Ni189  1  0.525674  0.643922  0.334759  1
  Ni  Ni190  1  0.044650  0.703302  0.317770  1
  Ni  Ni191  1  0.355117  0.603902  0.346426  1
  Ni  Ni192  1  0.713865  0.788593  0.291200  1
  Ni  Ni193  1  0.076620  0.902254  0.408295  1
  Ni  Ni194  1  0.393286  0.808024  0.437010  1
  Ni  Ni195  1  0.758387  0.988595  0.381448  1
  Ni  Ni196  1  0.885381  0.763647  0.450925  1
  Ni  Ni197  1  0.249156  0.944307  0.395024  1
  Ni  Ni198  1  0.566831  0.850586  0.423916  1
  Ni  Ni199  1  0.798218  0.286850  0.443594  1
  Ni  Ni200  1  0.162747  0.465972  0.389421  1
  Ni  Ni201  1  0.478687  0.374673  0.416556  1
  Ni  Ni202  1  0.988789  0.426685  0.400840  1
  Ni  Ni203  1  0.305905  0.332877  0.429393  1
  Ni  Ni204  1  0.672966  0.512117  0.374220  1
  Ni  Ni205  1  0.029163  0.628916  0.492165  1
  Ni  Ni206  1  0.346093  0.535902  0.520711  1
  Ni  Ni207  1  0.710810  0.717365  0.464914  1
  Ni  Ni208  1  0.837555  0.490869  0.534436  1
  Ni  Ni209  1  0.202154  0.672392  0.478923  1
  Ni  Ni210  1  0.519393  0.579199  0.507289  1
  Ni  Ni211  1  0.750726  0.014680  0.527059  1
  Ni  Ni212  1  0.115442  0.196143  0.471261  1
  Ni  Ni213  1  0.432373  0.103130  0.499807  1
  Ni  Ni214  1  0.942143  0.152847  0.484684  1
  Ni  Ni215  1  0.259381  0.059654  0.513049  1
  Ni  Ni216  1  0.623981  0.241177  0.457536  1
  Ni  Ni217  1  0.982849  0.357373  0.575417  1
  Ni  Ni218  1  0.298789  0.266074  0.602551  1
  Ni  Ni219  1  0.663318  0.445196  0.548378  1
  Ni  Ni220  1  0.788570  0.219928  0.617753  1
  Ni  Ni221  1  0.155631  0.399168  0.562580  1
  Ni  Ni222  1  0.472747  0.305360  0.591133  1
  Ni  Ni223  1  0.703149  0.743450  0.610525  1
  Ni  Ni224  1  0.068250  0.924022  0.554963  1
  Ni  Ni225  1  0.384915  0.829791  0.583677  1
  Ni  Ni226  1  0.894705  0.881459  0.568057  1
  Ni  Ni227  1  0.212380  0.787739  0.596949  1
  Ni  Ni228  1  0.576155  0.968399  0.541047  1
  Ni  Ni229  1  0.935862  0.088124  0.657213  1
  Ni  Ni230  1  0.267675  0.990857  0.685354  1
  Ni  Ni231  1  0.614035  0.176692  0.630716  1
  Ni  Ni232  1  0.747671  0.943453  0.700773  1
  Ni  Ni233  1  0.106419  0.128143  0.645547  1
  Ni  Ni234  1  0.416885  0.028743  0.674203  1
  Ni  Ni235  1  0.651140  0.472216  0.693006  1
  Ni  Ni236  1  0.022245  0.651380  0.638658  1
  Ni  Ni237  1  0.337300  0.550018  0.667174  1
  Ni  Ni238  1  0.850631  0.610588  0.650081  1
  Ni  Ni239  1  0.172958  0.503193  0.680740  1
  Ni  Ni240  1  0.530176  0.697365  0.624619  1
