# generated using pymatgen
data_Al3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.75484097
_cell_length_b   25.98829621
_cell_length_c   51.41831099
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni
_chemical_formula_sum   'Al144 Ni48'
_cell_volume   6353.77177084
_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  0.620181  0.940327  0.315324  1
  Al  Al2  1  0.612763  0.575103  0.348344  1
  Al  Al3  1  0.621469  0.332397  0.277495  1
  Al  Al4  1  0.136777  0.928200  0.278882  1
  Al  Al5  1  0.135756  0.545220  0.317377  1
  Al  Al6  1  0.135346  0.168319  0.352568  1
  Al  Al7  1  0.117853  0.016244  0.305151  1
  Al  Al8  1  0.119217  0.641709  0.346340  1
  Al  Al9  1  0.130783  0.395123  0.270719  1
  Al  Al10  1  0.637367  0.784115  0.367722  1
  Al  Al11  1  0.638901  0.538130  0.292904  1
  Al  Al12  1  0.636360  0.160171  0.328888  1
  Al  Al13  1  0.388706  0.853304  0.338000  1
  Al  Al14  1  0.380755  0.611021  0.262376  1
  Al  Al15  1  0.401958  0.233519  0.298812  1
  Al  Al16  1  0.898572  0.756907  0.280563  1
  Al  Al17  1  0.909869  0.375383  0.320536  1
  Al  Al18  1  0.903217  0.999214  0.355447  1
  Al  Al19  1  0.401326  0.953299  0.365403  1
  Al  Al20  1  0.396691  0.707902  0.288854  1
  Al  Al21  1  0.404710  0.329647  0.328027  1
  Al  Al22  1  0.897273  0.847527  0.313779  1
  Al  Al23  1  0.898323  0.473176  0.348362  1
  Al  Al24  1  0.903332  0.228167  0.273243  1
  Al  Al25  1  0.617490  0.687515  0.339197  1
  Al  Al26  1  0.629895  0.445346  0.261933  1
  Al  Al27  1  0.610995  0.065754  0.300533  1
  Al  Al28  1  0.915914  0.887406  0.367436  1
  Al  Al29  1  0.905685  0.642540  0.294436  1
  Al  Al30  1  0.916930  0.262190  0.328923  1
  Al  Al31  1  0.386923  0.826673  0.284233  1
  Al  Al32  1  0.413691  0.441485  0.314996  1
  Al  Al33  1  0.414370  0.065010  0.352089  1
  Al  Al34  1  0.110444  0.751543  0.333488  1
  Al  Al35  1  0.140552  0.508013  0.264859  1
  Al  Al36  1  0.116342  0.131464  0.297597  1
  Al  Al37  1  0.614652  0.823524  0.424734  1
  Al  Al38  1  0.615877  0.447632  0.460001  1
  Al  Al39  1  0.617437  0.197088  0.385057  1
  Al  Al40  1  0.134782  0.793694  0.391936  1
  Al  Al41  1  0.131475  0.418447  0.428250  1
  Al  Al42  1  0.129800  0.043334  0.465182  1
  Al  Al43  1  0.127646  0.891233  0.420635  1
  Al  Al44  1  0.131515  0.516075  0.457357  1
  Al  Al45  1  0.131198  0.266606  0.382229  1
  Al  Al46  1  0.631546  0.659191  0.478671  1
  Al  Al47  1  0.631151  0.409903  0.403822  1
  Al  Al48  1  0.630231  0.033906  0.440618  1
  Al  Al49  1  0.398687  0.730823  0.447622  1
  Al  Al50  1  0.400381  0.482470  0.372636  1
  Al  Al51  1  0.401977  0.105528  0.408785  1
  Al  Al52  1  0.899166  0.624396  0.394161  1
  Al  Al53  1  0.900470  0.248404  0.429788  1
  Al  Al54  1  0.901484  0.874030  0.468730  1
  Al  Al55  1  0.400209  0.828650  0.476847  1
  Al  Al56  1  0.399950  0.579273  0.401792  1
  Al  Al57  1  0.400386  0.203428  0.437679  1
  Al  Al58  1  0.898725  0.722327  0.422960  1
  Al  Al59  1  0.901382  0.346250  0.459275  1
  Al  Al60  1  0.902429  0.096585  0.383992  1
  Al  Al61  1  0.631084  0.561337  0.449571  1
  Al  Al62  1  0.633067  0.312152  0.374914  1
  Al  Al63  1  0.628625  0.936869  0.412997  1
  Al  Al64  1  0.915770  0.760736  0.479611  1
  Al  Al65  1  0.916552  0.510970  0.404818  1
  Al  Al66  1  0.916972  0.135136  0.440439  1
  Al  Al67  1  0.416675  0.692121  0.391403  1
  Al  Al68  1  0.416440  0.317114  0.427293  1
  Al  Al69  1  0.417853  0.942070  0.465670  1
  Al  Al70  1  0.115372  0.629730  0.446638  1
  Al  Al71  1  0.114627  0.381171  0.372422  1
  Al  Al72  1  0.115192  1.004599  0.409045  1
  Al  Al73  1  0.616136  0.697227  0.534921  1
  Al  Al74  1  0.615900  0.322220  0.570812  1
  Al  Al75  1  0.614722  0.072271  0.496544  1
  Al  Al76  1  0.131193  0.668090  0.502940  1
  Al  Al77  1  0.133851  0.292014  0.539255  1
  Al  Al78  1  0.130147  0.917756  0.578223  1
  Al  Al79  1  0.132105  0.765937  0.532427  1
  Al  Al80  1  0.133410  0.389945  0.568054  1
  Al  Al81  1  0.131091  0.140311  0.493485  1
  Al  Al82  1  0.632194  0.531870  0.589579  1
  Al  Al83  1  0.633889  0.283518  0.514593  1
  Al  Al84  1  0.630599  0.908813  0.553430  1
  Al  Al85  1  0.401425  0.604438  0.558393  1
  Al  Al86  1  0.401030  0.355149  0.483544  1
  Al  Al87  1  0.402345  0.980435  0.521597  1
  Al  Al88  1  0.901061  0.498266  0.504858  1
  Al  Al89  1  0.904930  0.123108  0.541580  1
  Al  Al90  1  0.901378  0.747735  0.579986  1
  Al  Al91  1  0.399508  0.702189  0.587301  1
  Al  Al92  1  0.401492  0.453003  0.512644  1
  Al  Al93  1  0.403951  0.077472  0.549218  1
  Al  Al94  1  0.901101  0.595894  0.533965  1
  Al  Al95  1  0.897794  0.220646  0.570279  1
  Al  Al96  1  0.902776  0.971007  0.497033  1
  Al  Al97  1  0.632626  0.435068  0.560423  1
  Al  Al98  1  0.632367  0.185691  0.485368  1
  Al  Al99  1  0.632190  0.810913  0.524536  1
  Al  Al100  1  0.917949  0.633169  0.589792  1
  Al  Al101  1  0.917204  0.384611  0.515577  1
  Al  Al102  1  0.917384  0.009742  0.553170  1
  Al  Al103  1  0.416699  0.566709  0.502214  1
  Al  Al104  1  0.417924  0.190816  0.537481  1
  Al  Al105  1  0.415139  0.817253  0.577158  1
  Al  Al106  1  0.116024  0.503371  0.557397  1
  Al  Al107  1  0.116806  0.253605  0.482604  1
  Al  Al108  1  0.115604  0.879205  0.521776  1
  Al  Al109  1  0.618885  0.572856  0.647219  1
  Al  Al110  1  0.645653  0.187668  0.677982  1
  Al  Al111  1  0.618206  0.949330  0.610126  1
  Al  Al112  1  0.134253  0.541165  0.613853  1
  Al  Al113  1  0.135303  0.166814  0.648436  1
  Al  Al114  1  0.129243  0.786174  0.688972  1
  Al  Al115  1  0.122707  0.638958  0.641679  1
  Al  Al116  1  0.134004  0.257434  0.681652  1
  Al  Al117  1  0.129359  0.015127  0.606768  1
  Al  Al118  1  0.651821  0.403319  0.699839  1
  Al  Al119  1  0.643870  0.161036  0.624215  1
  Al  Al120  1  0.630618  0.780821  0.663403  1
  Al  Al121  1  0.393675  0.476211  0.669311  1
  Al  Al122  1  0.395209  0.230226  0.594493  1
  Al  Al123  1  0.396216  0.854170  0.633327  1
  Al  Al124  1  0.913359  0.372632  0.615875  1
  Al  Al125  1  0.914723  0.998097  0.657064  1
  Al  Al126  1  0.901793  0.619218  0.691496  1
  Al  Al127  1  0.402681  0.568995  0.700282  1
  Al  Al128  1  0.415086  0.326826  0.623018  1
  Al  Al129  1  0.421581  0.948587  0.661682  1
  Al  Al130  1  0.896820  0.469120  0.644837  1
  Al  Al131  1  0.895799  0.086141  0.683333  1
  Al  Al132  1  0.897230  0.846022  0.609647  1
  Al  Al133  1  0.635885  0.306439  0.673361  1
  Al  Al134  1  0.631249  0.061042  0.596812  1
  Al  Al135  1  0.627866  0.684693  0.634188  1
  Al  Al136  1  0.892024  0.506328  0.697356  1
  Al  Al137  1  0.922132  0.262798  0.628727  1
  Al  Al138  1  0.916234  0.882877  0.664618  1
  Al  Al139  1  0.419813  0.439238  0.613871  1
  Al  Al140  1  0.412395  0.074013  0.646891  1
  Al  Al141  1  0.411107  0.681944  0.684720  1
  Al  Al142  1  0.126890  0.371801  0.667779  1
  Al  Al143  1  0.116662  0.126935  0.594779  1
  Al  Al144  1  0.115646  0.752151  0.633292  1
  Ni  Ni145  1  0.114874  0.931184  0.327422  1
  Ni  Ni146  1  0.095046  0.555759  0.365035  1
  Ni  Ni147  1  0.113647  0.309543  0.289857  1
  Ni  Ni148  1  0.631217  0.985414  0.275884  1
  Ni  Ni149  1  0.421379  0.621618  0.309489  1
  Ni  Ni150  1  0.437209  0.242925  0.346070  1
  Ni  Ni151  1  0.877753  0.848752  0.266344  1
  Ni  Ni152  1  0.921141  0.461063  0.301402  1
  Ni  Ni153  1  0.931664  0.084598  0.336459  1
  Ni  Ni154  1  0.599991  0.772518  0.319790  1
  Ni  Ni155  1  0.594739  0.399564  0.356160  1
  Ni  Ni156  1  0.606778  0.151410  0.280595  1
  Ni  Ni157  1  0.098961  0.805031  0.439810  1
  Ni  Ni158  1  0.098827  0.429299  0.475926  1
  Ni  Ni159  1  0.101523  0.179637  0.400516  1
  Ni  Ni160  1  0.438574  0.867097  0.384792  1
  Ni  Ni161  1  0.432848  0.492744  0.420486  1
  Ni  Ni162  1  0.433133  0.117031  0.456593  1
  Ni  Ni163  1  0.937310  0.710940  0.375128  1
  Ni  Ni164  1  0.933270  0.335402  0.411609  1
  Ni  Ni165  1  0.934974  0.960231  0.449323  1
  Ni  Ni166  1  0.599101  0.647969  0.431027  1
  Ni  Ni167  1  0.599777  0.272202  0.466784  1
  Ni  Ni168  1  0.601936  0.022744  0.392853  1
  Ni  Ni169  1  0.099306  0.678939  0.550606  1
  Ni  Ni170  1  0.095266  0.303401  0.587087  1
  Ni  Ni171  1  0.097602  0.054110  0.512891  1
  Ni  Ni172  1  0.432798  0.742139  0.495431  1
  Ni  Ni173  1  0.433475  0.366372  0.531188  1
  Ni  Ni174  1  0.430640  0.991596  0.569362  1
  Ni  Ni175  1  0.933749  0.585042  0.486289  1
  Ni  Ni176  1  0.933615  0.209310  0.522405  1
  Ni  Ni177  1  0.931053  0.834704  0.561699  1
  Ni  Ni178  1  0.599728  0.521596  0.541729  1
  Ni  Ni179  1  0.594002  0.147244  0.577423  1
  Ni  Ni180  1  0.599443  0.897309  0.505622  1
  Ni  Ni181  1  0.111434  0.553277  0.660813  1
  Ni  Ni182  1  0.154823  0.165589  0.695870  1
  Ni  Ni183  1  0.100912  0.929743  0.625756  1
  Ni  Ni184  1  0.437837  0.614776  0.606055  1
  Ni  Ni185  1  0.432584  0.241823  0.642425  1
  Ni  Ni186  1  0.425798  0.862931  0.681620  1
  Ni  Ni187  1  0.937530  0.458582  0.597179  1
  Ni  Ni188  1  0.917701  0.083157  0.634793  1
  Ni  Ni189  1  0.918928  0.704797  0.672358  1
  Ni  Ni190  1  0.611197  0.392723  0.652726  1
  Ni  Ni191  1  0.401359  0.028927  0.686331  1
  Ni  Ni192  1  0.595367  0.771416  0.616145  1
