# generated using pymatgen
data_Al3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.90315979
_cell_length_b   14.55983900
_cell_length_c   52.85979169
_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   'Al96 Ni32'
_cell_volume   3773.61914584
_cell_formula_units_Z   32
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  0.601038  0.771638  0.341137  1
  Al  Al2  1  0.642334  0.135542  0.281192  1
  Al  Al3  1  0.146033  0.775475  0.306169  1
  Al  Al4  1  0.137216  0.416556  0.367878  1
  Al  Al5  1  0.142531  0.891502  0.356726  1
  Al  Al6  1  0.139749  0.259594  0.296145  1
  Al  Al7  1  0.653262  0.807402  0.284940  1
  Al  Al8  1  0.635152  0.444106  0.348034  1
  Al  Al9  1  0.390408  0.962908  0.275952  1
  Al  Al10  1  0.351413  0.596138  0.335603  1
  Al  Al11  1  0.877595  0.146704  0.328260  1
  Al  Al12  1  0.847131  0.506255  0.265758  1
  Al  Al13  1  0.374549  0.072839  0.324851  1
  Al  Al14  1  0.335868  0.422566  0.264129  1
  Al  Al15  1  0.891696  0.982563  0.254660  1
  Al  Al16  1  0.850965  0.622920  0.315891  1
  Al  Al17  1  0.644910  0.966145  0.358911  1
  Al  Al18  1  0.644045  0.327434  0.296551  1
  Al  Al19  1  0.911567  0.961763  0.308861  1
  Al  Al20  1  0.894021  0.594401  0.372782  1
  Al  Al21  1  0.400037  0.263596  0.343117  1
  Al  Al22  1  0.385074  0.623218  0.279001  1
  Al  Al23  1  0.166173  0.801726  0.254215  1
  Al  Al24  1  0.087316  0.445795  0.312064  1
  Al  Al25  1  0.602094  0.056190  0.466746  1
  Al  Al26  1  0.601144  0.416260  0.403930  1
  Al  Al27  1  0.143774  0.056737  0.430236  1
  Al  Al28  1  0.141247  0.698077  0.492868  1
  Al  Al29  1  0.142195  0.174838  0.482306  1
  Al  Al30  1  0.138849  0.533848  0.419532  1
  Al  Al31  1  0.644134  0.084130  0.410766  1
  Al  Al32  1  0.641044  0.725323  0.473404  1
  Al  Al33  1  0.361638  0.236328  0.399013  1
  Al  Al34  1  0.359222  0.877514  0.461529  1
  Al  Al35  1  0.860167  0.427977  0.452758  1
  Al  Al36  1  0.857310  0.787190  0.389971  1
  Al  Al37  1  0.360567  0.354188  0.450982  1
  Al  Al38  1  0.357402  0.713953  0.388326  1
  Al  Al39  1  0.861396  0.262757  0.379952  1
  Al  Al40  1  0.859388  0.904899  0.442083  1
  Al  Al41  1  0.642146  0.248638  0.484023  1
  Al  Al42  1  0.638584  0.607683  0.421355  1
  Al  Al43  1  0.901146  0.235408  0.435517  1
  Al  Al44  1  0.899055  0.876929  0.497982  1
  Al  Al45  1  0.398501  0.546408  0.468252  1
  Al  Al46  1  0.401117  0.905572  0.405592  1
  Al  Al47  1  0.108717  0.083827  0.374238  1
  Al  Al48  1  0.100591  0.725967  0.436911  1
  Al  Al49  1  0.600224  0.338466  0.592018  1
  Al  Al50  1  0.602840  0.697630  0.529358  1
  Al  Al51  1  0.141953  0.339139  0.555527  1
  Al  Al52  1  0.139945  0.981282  0.617658  1
  Al  Al53  1  0.144031  0.456849  0.607639  1
  Al  Al54  1  0.141174  0.816061  0.544852  1
  Al  Al55  1  0.642119  0.366524  0.536081  1
  Al  Al56  1  0.639703  0.007710  0.598597  1
  Al  Al57  1  0.360297  0.518715  0.524206  1
  Al  Al58  1  0.357207  0.159908  0.586844  1
  Al  Al59  1  0.862492  0.710191  0.578078  1
  Al  Al60  1  0.859146  0.069200  0.515304  1
  Al  Al61  1  0.362757  0.636356  0.576255  1
  Al  Al62  1  0.359194  0.995400  0.513587  1
  Al  Al63  1  0.860094  0.545961  0.504742  1
  Al  Al64  1  0.857567  0.187301  0.567374  1
  Al  Al65  1  0.643939  0.530085  0.609284  1
  Al  Al66  1  0.640774  0.889850  0.546628  1
  Al  Al67  1  0.900750  0.518071  0.560699  1
  Al  Al68  1  0.892624  0.160211  0.623372  1
  Al  Al69  1  0.400197  0.827778  0.593680  1
  Al  Al70  1  0.399247  0.187849  0.530864  1
  Al  Al71  1  0.102286  0.367109  0.499628  1
  Al  Al72  1  0.100195  0.008631  0.562093  1
  Al  Al73  1  0.616267  0.620821  0.718609  1
  Al  Al74  1  0.601304  0.980442  0.654493  1
  Al  Al75  1  0.150376  0.621118  0.681719  1
  Al  Al76  1  0.109645  0.261475  0.742950  1
  Al  Al77  1  0.154210  0.737783  0.731852  1
  Al  Al78  1  0.123746  0.097334  0.669350  1
  Al  Al79  1  0.649928  0.647900  0.662007  1
  Al  Al80  1  0.610933  0.281130  0.721658  1
  Al  Al81  1  0.366189  0.799932  0.649576  1
  Al  Al82  1  0.348079  0.436636  0.712670  1
  Al  Al83  1  0.861591  0.984444  0.701465  1
  Al  Al84  1  0.858810  0.352536  0.640884  1
  Al  Al85  1  0.357296  0.916604  0.701059  1
  Al  Al86  1  0.356431  0.277893  0.638699  1
  Al  Al87  1  0.864125  0.827482  0.629732  1
  Al  Al88  1  0.855308  0.468563  0.691441  1
  Al  Al89  1  0.665473  0.821472  0.733481  1
  Al  Al90  1  0.626792  0.171199  0.672759  1
  Al  Al91  1  0.914025  0.798243  0.685546  1
  Al  Al92  1  0.835167  0.442312  0.743395  1
  Al  Al93  1  0.359007  0.108496  0.716418  1
  Al  Al94  1  0.400303  0.472400  0.656473  1
  Al  Al95  1  0.107319  0.649637  0.624828  1
  Al  Al96  1  0.089774  0.282276  0.688749  1
  Ni  Ni97  1  0.128750  0.100972  0.283873  1
  Ni  Ni98  1  0.081437  0.726241  0.349724  1
  Ni  Ni99  1  0.428586  0.906729  0.318984  1
  Ni  Ni100  1  0.393502  0.250265  0.257750  1
  Ni  Ni101  1  0.899170  0.671971  0.271817  1
  Ni  Ni102  1  0.912385  0.311810  0.336023  1
  Ni  Ni103  1  0.591128  0.130932  0.366229  1
  Ni  Ni104  1  0.568760  0.490637  0.303844  1
  Ni  Ni105  1  0.085980  0.368741  0.412228  1
  Ni  Ni106  1  0.086410  0.010077  0.474688  1
  Ni  Ni107  1  0.416570  0.189305  0.443427  1
  Ni  Ni108  1  0.409590  0.549615  0.380451  1
  Ni  Ni109  1  0.917590  0.951537  0.397624  1
  Ni  Ni110  1  0.913940  0.592857  0.460237  1
  Ni  Ni111  1  0.586655  0.413456  0.491621  1
  Ni  Ni112  1  0.585331  0.772357  0.428966  1
  Ni  Ni113  1  0.087400  0.651181  0.537373  1
  Ni  Ni114  1  0.083751  0.292501  0.599986  1
  Ni  Ni115  1  0.416009  0.471681  0.568644  1
  Ni  Ni116  1  0.414686  0.830583  0.505989  1
  Ni  Ni117  1  0.914931  0.233961  0.522922  1
  Ni  Ni118  1  0.915361  0.875297  0.585382  1
  Ni  Ni119  1  0.591751  0.694423  0.617159  1
  Ni  Ni120  1  0.584771  0.054733  0.554183  1
  Ni  Ni121  1  0.088956  0.932228  0.661587  1
  Ni  Ni122  1  0.102171  0.572067  0.725793  1
  Ni  Ni123  1  0.432581  0.753401  0.693766  1
  Ni  Ni124  1  0.410213  0.113107  0.631381  1
  Ni  Ni125  1  0.919904  0.517797  0.647886  1
  Ni  Ni126  1  0.872591  0.143067  0.713737  1
  Ni  Ni127  1  0.607838  0.993773  0.739860  1
  Ni  Ni128  1  0.572755  0.337310  0.678626  1
