# generated using pymatgen
data_Al3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.04375016
_cell_length_b   15.87116532
_cell_length_c   48.83049233
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   79.60548868
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni
_chemical_formula_sum   'Al144 Ni48'
_cell_volume   6131.57504689
_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  0.675844  0.906697  0.314670  1
  Al  Al2  1  0.823685  0.417728  0.277167  1
  Al  Al3  1  0.937658  0.999304  0.293529  1
  Al  Al4  1  0.747626  0.462165  0.331083  1
  Al  Al5  1  0.951538  0.820783  0.282824  1
  Al  Al6  1  0.809052  0.280421  0.314571  1
  Al  Al7  1  0.827698  0.008168  0.345508  1
  Al  Al8  1  0.998857  0.535022  0.304108  1
  Al  Al9  1  0.300170  0.975721  0.302487  1
  Al  Al10  1  0.492032  0.521962  0.273552  1
  Al  Al11  1  0.506631  0.238593  0.299137  1
  Al  Al12  1  0.351739  0.710887  0.333832  1
  Al  Al13  1  0.589334  0.773843  0.294046  1
  Al  Al14  1  0.243792  0.264131  0.333100  1
  Al  Al15  1  0.576464  0.052290  0.287221  1
  Al  Al16  1  0.411532  0.521044  0.324684  1
  Al  Al17  1  0.100690  0.252301  0.284816  1
  Al  Al18  1  0.917378  0.723784  0.324134  1
  Al  Al19  1  0.094142  0.872429  0.330984  1
  Al  Al20  1  0.265470  0.400556  0.291291  1
  Al  Al21  1  0.503618  0.104127  0.342693  1
  Al  Al22  1  0.670627  0.614536  0.306705  1
  Al  Al23  1  0.050504  0.123997  0.328701  1
  Al  Al24  1  0.198652  0.655359  0.289973  1
  Al  Al25  1  0.338968  0.821936  0.384498  1
  Al  Al26  1  0.498664  0.351045  0.347985  1
  Al  Al27  1  0.576174  0.934872  0.367936  1
  Al  Al28  1  0.417110  0.406246  0.406529  1
  Al  Al29  1  0.641867  0.749530  0.352323  1
  Al  Al30  1  0.483058  0.217141  0.390099  1
  Al  Al31  1  0.497900  0.944608  0.421190  1
  Al  Al32  1  0.660723  0.474173  0.382976  1
  Al  Al33  1  0.013509  0.923213  0.386572  1
  Al  Al34  1  0.166928  0.453591  0.347542  1
  Al  Al35  1  0.182260  0.179540  0.377441  1
  Al  Al36  1  0.012455  0.648569  0.415739  1
  Al  Al37  1  0.080421  0.734010  0.370499  1
  Al  Al38  1  0.902420  0.203751  0.409261  1
  Al  Al39  1  0.251723  0.995076  0.358062  1
  Al  Al40  1  0.079942  0.460677  0.400755  1
  Al  Al41  1  0.760485  0.191562  0.359074  1
  Al  Al42  1  0.598475  0.662864  0.398340  1
  Al  Al43  1  0.771670  0.809040  0.403544  1
  Al  Al44  1  0.937281  0.335629  0.364208  1
  Al  Al45  1  0.165221  0.046010  0.419815  1
  Al  Al46  1  0.325632  0.576225  0.380932  1
  Al  Al47  1  0.730622  0.055619  0.404051  1
  Al  Al48  1  0.890508  0.587690  0.364322  1
  Al  Al49  1  1.001365  0.759098  0.464498  1
  Al  Al50  1  0.168232  0.290232  0.426274  1
  Al  Al51  1  0.250776  0.876783  0.444685  1
  Al  Al52  1  0.084545  0.344849  0.483810  1
  Al  Al53  1  0.318306  0.686843  0.429270  1
  Al  Al54  1  0.152161  0.156676  0.468142  1
  Al  Al55  1  0.163496  0.883154  0.498341  1
  Al  Al56  1  0.330273  0.413856  0.459994  1
  Al  Al57  1  0.667695  0.860364  0.463420  1
  Al  Al58  1  0.834919  0.390691  0.424685  1
  Al  Al59  1  0.847591  0.117647  0.454870  1
  Al  Al60  1  0.681146  0.587090  0.493917  1
  Al  Al61  1  0.734751  0.673379  0.448077  1
  Al  Al62  1  0.569919  0.142116  0.486815  1
  Al  Al63  1  0.915380  0.928762  0.439727  1
  Al  Al64  1  0.748110  0.398620  0.478353  1
  Al  Al65  1  0.431109  0.132185  0.436208  1
  Al  Al66  1  0.263675  0.601159  0.475286  1
  Al  Al67  1  0.435439  0.748043  0.479569  1
  Al  Al68  1  0.601856  0.278136  0.440894  1
  Al  Al69  1  0.830322  0.984404  0.497232  1
  Al  Al70  1  0.996458  0.514996  0.458455  1
  Al  Al71  1  0.397162  0.996156  0.482271  1
  Al  Al72  1  0.563219  0.526561  0.443728  1
  Al  Al73  1  0.669994  0.697971  0.542415  1
  Al  Al74  1  0.836130  0.228563  0.503638  1
  Al  Al75  1  0.918342  0.814348  0.522518  1
  Al  Al76  1  0.751073  0.284205  0.561143  1
  Al  Al77  1  0.985307  0.625878  0.506954  1
  Al  Al78  1  0.818862  0.095321  0.546001  1
  Al  Al79  1  0.831534  0.822276  0.576185  1
  Al  Al80  1  0.998758  0.352603  0.537451  1
  Al  Al81  1  0.336180  0.799112  0.540876  1
  Al  Al82  1  0.502957  0.329813  0.502529  1
  Al  Al83  1  0.514291  0.056292  0.532728  1
  Al  Al84  1  0.348146  0.526124  0.571600  1
  Al  Al85  1  0.402778  0.611809  0.525585  1
  Al  Al86  1  0.235343  0.080782  0.564663  1
  Al  Al87  1  0.581908  0.868119  0.517060  1
  Al  Al88  1  0.415676  0.336184  0.556186  1
  Al  Al89  1  0.096534  0.070852  0.514055  1
  Al  Al90  1  0.931701  0.539589  0.552793  1
  Al  Al91  1  0.103234  0.686407  0.557142  1
  Al  Al92  1  0.269290  0.216811  0.518599  1
  Al  Al93  1  0.498220  0.922735  0.574596  1
  Al  Al94  1  0.665088  0.453869  0.536373  1
  Al  Al95  1  0.064597  0.934832  0.559976  1
  Al  Al96  1  0.231013  0.464925  0.521301  1
  Al  Al97  1  0.340821  0.636743  0.619939  1
  Al  Al98  1  0.501232  0.166957  0.581055  1
  Al  Al99  1  0.586511  0.752291  0.600115  1
  Al  Al100  1  0.414730  0.217892  0.642808  1
  Al  Al101  1  0.653997  0.564399  0.585131  1
  Al  Al102  1  0.484192  0.033427  0.623429  1
  Al  Al103  1  0.499525  0.759377  0.653328  1
  Al  Al104  1  0.652944  0.289754  0.614298  1
  Al  Al105  1  0.005729  0.738794  0.617894  1
  Al  Al106  1  0.168553  0.268360  0.579681  1
  Al  Al107  1  0.183395  0.995827  0.610771  1
  Al  Al108  1  0.024585  0.463438  0.648547  1
  Al  Al109  1  0.067977  0.550103  0.602530  1
  Al  Al110  1  0.905968  0.021405  0.641796  1
  Al  Al111  1  0.249342  0.806721  0.594342  1
  Al  Al112  1  0.090279  0.278095  0.632934  1
  Al  Al113  1  0.764033  0.009217  0.591610  1
  Al  Al114  1  0.586031  0.478957  0.630371  1
  Al  Al115  1  0.775944  0.625278  0.636548  1
  Al  Al116  1  0.935831  0.157348  0.596820  1
  Al  Al117  1  0.167789  0.861922  0.652885  1
  Al  Al118  1  0.327485  0.391032  0.616372  1
  Al  Al119  1  0.729171  0.877339  0.636662  1
  Al  Al120  1  0.894783  0.403928  0.597327  1
  Al  Al121  1  0.995825  0.598432  0.694166  1
  Al  Al122  1  0.162835  0.108840  0.658178  1
  Al  Al123  1  0.254920  0.691924  0.676186  1
  Al  Al124  1  0.089989  0.160677  0.713649  1
  Al  Al125  1  0.314714  0.502080  0.667039  1
  Al  Al126  1  0.159821  0.974374  0.701733  1
  Al  Al127  1  0.174420  0.691006  0.727318  1
  Al  Al128  1  0.366282  0.237247  0.698383  1
  Al  Al129  1  0.667596  0.677946  0.696763  1
  Al  Al130  1  0.838755  0.204800  0.655362  1
  Al  Al131  1  0.857400  0.932546  0.686300  1
  Al  Al132  1  0.714915  0.392185  0.718046  1
  Al  Al133  1  0.749074  0.489184  0.676737  1
  Al  Al134  1  0.565762  0.960667  0.716054  1
  Al  Al135  1  0.918826  0.750803  0.669787  1
  Al  Al136  1  0.728794  0.213663  0.707341  1
  Al  Al137  1  0.422661  0.948837  0.667771  1
  Al  Al138  1  0.077119  0.439125  0.706824  1
  Al  Al139  1  0.467801  0.557609  0.710897  1
  Al  Al140  1  0.615948  0.088970  0.672169  1
  Al  Al141  1  0.842767  0.795240  0.723703  1
  Al  Al142  1  0.990608  0.306270  0.686200  1
  Al  Al143  1  0.400983  0.812411  0.709580  1
  Al  Al144  1  0.572311  0.340539  0.669886  1
  Ni  Ni145  1  0.411138  0.860201  0.334280  1
  Ni  Ni146  1  0.565437  0.389698  0.300575  1
  Ni  Ni147  1  0.266633  0.809062  0.292764  1
  Ni  Ni148  1  0.013946  0.376685  0.315862  1
  Ni  Ni149  1  0.758674  0.130025  0.312920  1
  Ni  Ni150  1  0.881291  0.671932  0.278493  1
  Ni  Ni151  1  0.308212  0.132722  0.304262  1
  Ni  Ni152  1  0.148539  0.610232  0.338786  1
  Ni  Ni153  1  0.075476  0.797788  0.416276  1
  Ni  Ni154  1  0.237264  0.329549  0.378253  1
  Ni  Ni155  1  0.844480  0.848567  0.354888  1
  Ni  Ni156  1  0.679546  0.317634  0.390151  1
  Ni  Ni157  1  0.425295  0.067197  0.390229  1
  Ni  Ni158  1  0.584285  0.598834  0.353461  1
  Ni  Ni159  1  0.989049  0.078769  0.378053  1
  Ni  Ni160  1  0.816783  0.547593  0.416561  1
  Ni  Ni161  1  0.737710  0.736594  0.494073  1
  Ni  Ni162  1  0.903944  0.267073  0.455359  1
  Ni  Ni163  1  0.511681  0.788636  0.428676  1
  Ni  Ni164  1  0.349401  0.257130  0.468064  1
  Ni  Ni165  1  0.094421  0.007560  0.468089  1
  Ni  Ni166  1  0.260046  0.537836  0.429379  1
  Ni  Ni167  1  0.651179  0.017165  0.455281  1
  Ni  Ni168  1  0.484337  0.486309  0.494393  1
  Ni  Ni169  1  0.406407  0.675132  0.571491  1
  Ni  Ni170  1  0.572031  0.205407  0.532782  1
  Ni  Ni171  1  0.182115  0.726658  0.506477  1
  Ni  Ni172  1  0.015274  0.195802  0.545589  1
  Ni  Ni173  1  0.762509  0.945894  0.545512  1
  Ni  Ni174  1  0.928743  0.476373  0.506798  1
  Ni  Ni175  1  0.317052  0.955837  0.532806  1
  Ni  Ni176  1  0.154771  0.424331  0.572194  1
  Ni  Ni177  1  0.082168  0.614133  0.647409  1
  Ni  Ni178  1  0.241157  0.145771  0.610641  1
  Ni  Ni179  1  0.849669  0.665374  0.584309  1
  Ni  Ni180  1  0.677404  0.134198  0.622817  1
  Ni  Ni181  1  0.429188  0.883418  0.622617  1
  Ni  Ni182  1  0.590977  0.415180  0.584594  1
  Ni  Ni183  1  0.986907  0.895334  0.610719  1
  Ni  Ni184  1  0.821973  0.364400  0.645982  1
  Ni  Ni185  1  0.785161  0.541036  0.722378  1
  Ni  Ni186  1  0.907778  0.082943  0.687950  1
  Ni  Ni187  1  0.517913  0.602735  0.662084  1
  Ni  Ni188  1  0.358241  0.080245  0.696609  1
  Ni  Ni189  1  0.101016  0.823269  0.700296  1
  Ni  Ni190  1  0.255315  0.352766  0.666590  1
  Ni  Ni191  1  0.652506  0.836282  0.685008  1
  Ni  Ni192  1  0.399820  0.403905  0.708106  1
