# generated using pymatgen
data_Al3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.78429378
_cell_length_b   20.91443134
_cell_length_c   49.34906286
_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   'Al108 Ni36'
_cell_volume   4937.90591289
_cell_formula_units_Z   36
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  0.593516  0.369828  0.393629  1
  Al  Al2  1  0.612706  0.661721  0.348908  1
  Al  Al3  1  0.613596  0.958395  0.310182  1
  Al  Al4  1  0.118874  0.385788  0.358575  1
  Al  Al5  1  0.168518  0.675291  0.312949  1
  Al  Al6  1  0.127095  0.098097  0.404658  1
  Al  Al7  1  0.119605  0.442601  0.414279  1
  Al  Al8  1  0.141531  0.733446  0.366618  1
  Al  Al9  1  0.125560  0.031623  0.317148  1
  Al  Al10  1  0.613217  0.413535  0.338399  1
  Al  Al11  1  0.670696  0.696461  0.294282  1
  Al  Al12  1  0.619984  0.125243  0.383247  1
  Al  Al13  1  0.400747  0.542787  0.334544  1
  Al  Al14  1  0.388618  0.955139  0.429712  1
  Al  Al15  1  0.377595  0.246874  0.381000  1
  Al  Al16  1  0.893098  0.641346  0.399694  1
  Al  Al17  1  0.917097  0.928304  0.353452  1
  Al  Al18  1  0.879256  0.222476  0.305019  1
  Al  Al19  1  0.390677  0.586216  0.391277  1
  Al  Al20  1  0.402417  0.872669  0.344872  1
  Al  Al21  1  0.358235  0.161890  0.298585  1
  Al  Al22  1  0.884394  0.571449  0.312566  1
  Al  Al23  1  0.886435  0.984789  0.407455  1
  Al  Al24  1  0.876528  0.275965  0.358900  1
  Al  Al25  1  0.625056  0.496729  0.421821  1
  Al  Al26  1  0.648073  0.787046  0.374261  1
  Al  Al27  1  0.630406  0.082199  0.327408  1
  Al  Al28  1  0.903773  0.510774  0.366233  1
  Al  Al29  1  0.936208  0.804581  0.322664  1
  Al  Al30  1  0.904441  0.221328  0.416785  1
  Al  Al31  1  0.418028  0.714863  0.418937  1
  Al  Al32  1  0.419032  1.000689  0.367193  1
  Al  Al33  1  0.394178  0.294423  0.322899  1
  Al  Al34  1  0.107475  0.447525  0.310739  1
  Al  Al35  1  0.113389  0.858519  0.396455  1
  Al  Al36  1  0.092800  0.151358  0.348747  1
  Al  Al37  1  0.604283  0.499705  0.538799  1
  Al  Al38  1  0.604868  0.789327  0.490863  1
  Al  Al39  1  0.602751  0.079597  0.441766  1
  Al  Al40  1  0.127845  0.520064  0.501644  1
  Al  Al41  1  0.132147  0.809330  0.454037  1
  Al  Al42  1  0.122408  0.231068  0.549242  1
  Al  Al43  1  0.128708  0.573587  0.559190  1
  Al  Al44  1  0.125068  0.862858  0.511417  1
  Al  Al45  1  0.123863  0.152864  0.462455  1
  Al  Al46  1  0.627205  0.548854  0.480512  1
  Al  Al47  1  0.632264  0.837835  0.432807  1
  Al  Al48  1  0.622035  0.259633  0.527951  1
  Al  Al49  1  0.388039  0.665581  0.477784  1
  Al  Al50  1  0.377809  0.087378  0.572928  1
  Al  Al51  1  0.382868  0.376359  0.525222  1
  Al  Al52  1  0.886211  0.772349  0.543280  1
  Al  Al53  1  0.885005  0.062355  0.494318  1
  Al  Al54  1  0.881365  0.351626  0.446545  1
  Al  Al55  1  0.385804  0.717775  0.535921  1
  Al  Al56  1  0.385360  0.007764  0.486796  1
  Al  Al57  1  0.381657  0.296708  0.438656  1
  Al  Al58  1  0.887666  0.694146  0.456492  1
  Al  Al59  1  0.877926  0.115884  0.551698  1
  Al  Al60  1  0.882229  0.405149  0.504091  1
  Al  Al61  1  0.628416  0.628506  0.567079  1
  Al  Al62  1  0.624713  0.917449  0.518938  1
  Al  Al63  1  0.624269  0.207439  0.469813  1
  Al  Al64  1  0.910523  0.644303  0.514361  1
  Al  Al65  1  0.911179  0.934070  0.466239  1
  Al  Al66  1  0.904896  0.355604  0.561641  1
  Al  Al67  1  0.407323  0.845617  0.563968  1
  Al  Al68  1  0.405205  0.135886  0.514871  1
  Al  Al69  1  0.405790  0.425509  0.466935  1
  Al  Al70  1  0.105177  0.569610  0.444093  1
  Al  Al71  1  0.098894  0.991143  0.539495  1
  Al  Al72  1  0.099550  0.280911  0.491373  1
  Al  Al73  1  0.615895  0.630791  0.682835  1
  Al  Al74  1  0.591041  0.924524  0.638541  1
  Al  Al75  1  0.592045  0.210351  0.586797  1
  Al  Al76  1  0.133545  0.649249  0.646835  1
  Al  Al77  1  0.123638  0.940424  0.598279  1
  Al  Al78  1  0.125679  0.353764  0.693168  1
  Al  Al79  1  0.130817  0.702737  0.700716  1
  Al  Al80  1  0.092976  0.996910  0.652282  1
  Al  Al81  1  0.116975  0.283867  0.606040  1
  Al  Al82  1  0.632478  0.678339  0.624734  1
  Al  Al83  1  0.621455  0.970074  0.576022  1
  Al  Al84  1  0.609326  0.382427  0.671190  1
  Al  Al85  1  0.390089  0.799971  0.622488  1
  Al  Al86  1  0.339377  0.228753  0.711453  1
  Al  Al87  1  0.396857  0.511678  0.667335  1
  Al  Al88  1  0.884513  0.893591  0.688586  1
  Al  Al89  1  0.868542  0.191767  0.639117  1
  Al  Al90  1  0.890468  0.482613  0.591456  1
  Al  Al91  1  0.379668  0.843014  0.678327  1
  Al  Al92  1  0.362000  0.138167  0.631473  1
  Al  Al93  1  0.385018  0.428485  0.583913  1
  Al  Al94  1  0.882978  0.827116  0.601076  1
  Al  Al95  1  0.841555  0.249923  0.692785  1
  Al  Al96  1  0.891199  0.539426  0.647160  1
  Al  Al97  1  0.651838  0.763324  0.707150  1
  Al  Al98  1  0.607657  0.052544  0.660862  1
  Al  Al99  1  0.619396  0.338997  0.614457  1
  Al  Al100  1  0.917274  0.773856  0.656987  1
  Al  Al101  1  0.896684  0.066695  0.609279  1
  Al  Al102  1  0.902598  0.477688  0.694995  1
  Al  Al103  1  0.396477  0.966819  0.695553  1
  Al  Al104  1  0.397367  0.263492  0.656826  1
  Al  Al105  1  0.416558  0.555385  0.612105  1
  Al  Al106  1  0.105632  0.703885  0.588950  1
  Al  Al107  1  0.073865  0.120632  0.683071  1
  Al  Al108  1  0.106301  0.414440  0.639501  1
  Ni  Ni109  1  0.084643  0.618896  0.354728  1
  Ni  Ni110  1  0.112457  0.913550  0.307597  1
  Ni  Ni111  1  0.073782  0.327427  0.401131  1
  Ni  Ni112  1  0.410648  0.474246  0.375668  1
  Ni  Ni113  1  0.447727  0.764829  0.328124  1
  Ni  Ni114  1  0.419514  0.183138  0.423770  1
  Ni  Ni115  1  0.909264  0.337708  0.315218  1
  Ni  Ni116  1  0.933384  0.754857  0.413149  1
  Ni  Ni117  1  0.931897  0.043214  0.363560  1
  Ni  Ni118  1  0.604819  0.479054  0.297220  1
  Ni  Ni119  1  0.593801  0.899548  0.389860  1
  Ni  Ni120  1  0.574727  0.192098  0.341992  1
  Ni  Ni121  1  0.090134  0.748899  0.497377  1
  Ni  Ni122  1  0.087465  0.038817  0.448395  1
  Ni  Ni123  1  0.089704  0.459805  0.545148  1
  Ni  Ni124  1  0.425786  0.604298  0.521053  1
  Ni  Ni125  1  0.425887  0.893800  0.473112  1
  Ni  Ni126  1  0.420485  0.315257  0.568438  1
  Ni  Ni127  1  0.920369  0.465409  0.460586  1
  Ni  Ni128  1  0.922608  0.886397  0.557339  1
  Ni  Ni129  1  0.919939  0.176315  0.508357  1
  Ni  Ni130  1  0.589588  0.609957  0.437297  1
  Ni  Ni131  1  0.584186  0.031414  0.532623  1
  Ni  Ni132  1  0.584288  0.320915  0.484682  1
  Ni  Ni133  1  0.078176  0.882000  0.642174  1
  Ni  Ni134  1  0.076689  0.170356  0.592585  1
  Ni  Ni135  1  0.100809  0.587506  0.690516  1
  Ni  Ni136  1  0.435346  0.733115  0.663742  1
  Ni  Ni137  1  0.416273  0.025666  0.615875  1
  Ni  Ni138  1  0.405254  0.446160  0.708515  1
  Ni  Ni139  1  0.936291  0.597787  0.604603  1
  Ni  Ni140  1  0.897617  0.011663  0.698137  1
  Ni  Ni141  1  0.925431  0.306317  0.651006  1
  Ni  Ni142  1  0.590560  0.742075  0.581965  1
  Ni  Ni143  1  0.562346  0.160385  0.677611  1
  Ni  Ni144  1  0.599425  0.450968  0.630066  1
