# generated using pymatgen
data_Al3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.58233199
_cell_length_b   9.89764604
_cell_length_c   48.01718654
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   109.61167280
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni
_chemical_formula_sum   'Al120 Ni40'
_cell_volume   5185.25968529
_cell_formula_units_Z   40
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  0.089855  0.014460  0.359314  1
  Al  Al2  1  0.484317  0.168695  0.322387  1
  Al  Al3  1  0.746925  0.347578  0.319010  1
  Al  Al4  1  0.199155  0.505380  0.281038  1
  Al  Al5  1  0.646846  0.116998  0.283745  1
  Al  Al6  1  0.285655  0.912608  0.333907  1
  Al  Al7  1  0.008451  0.435002  0.319029  1
  Al  Al8  1  0.454859  0.646784  0.276172  1
  Al  Al9  1  0.960305  0.219943  0.354741  1
  Al  Al10  1  0.380475  0.392064  0.308213  1
  Al  Al11  1  0.097225  0.916531  0.300121  1
  Al  Al12  1  0.703234  0.768474  0.346488  1
  Al  Al13  1  0.901458  0.964666  0.321952  1
  Al  Al14  1  0.327011  0.130011  0.277730  1
  Al  Al15  1  0.213509  0.323917  0.354350  1
  Al  Al16  1  0.665523  0.569010  0.300244  1
  Al  Al17  1  0.100980  0.719371  0.359326  1
  Al  Al18  1  0.488907  0.880462  0.315181  1
  Al  Al19  1  0.096289  0.210141  0.301095  1
  Al  Al20  1  0.699636  0.056055  0.342699  1
  Al  Al21  1  0.905119  0.645574  0.323878  1
  Al  Al22  1  0.294297  0.821249  0.277890  1
  Al  Al23  1  0.687688  0.859196  0.291997  1
  Al  Al24  1  0.288571  0.608083  0.333369  1
  Al  Al25  1  0.280026  0.690414  0.449431  1
  Al  Al26  1  0.686882  0.851043  0.404361  1
  Al  Al27  1  0.967830  0.023062  0.414192  1
  Al  Al28  1  0.366598  0.175475  0.370243  1
  Al  Al29  1  0.886981  0.744388  0.376873  1
  Al  Al30  1  0.487002  0.580946  0.421004  1
  Al  Al31  1  0.213086  0.119040  0.413349  1
  Al  Al32  1  0.620183  0.275676  0.368463  1
  Al  Al33  1  0.157811  0.900601  0.449688  1
  Al  Al34  1  0.565953  0.059067  0.406656  1
  Al  Al35  1  0.286715  0.591900  0.392821  1
  Al  Al36  1  0.888735  0.436187  0.438604  1
  Al  Al37  1  0.076292  0.617038  0.411210  1
  Al  Al38  1  0.485725  0.769548  0.367583  1
  Al  Al39  1  0.403639  0.992898  0.448214  1
  Al  Al40  1  0.811095  0.162750  0.400312  1
  Al  Al41  1  0.296403  0.398490  0.449111  1
  Al  Al42  1  0.695718  0.554251  0.402748  1
  Al  Al43  1  0.298533  0.892881  0.393294  1
  Al  Al44  1  0.898412  0.736601  0.436318  1
  Al  Al45  1  0.091301  0.327171  0.409515  1
  Al  Al46  1  0.488480  0.474326  0.363308  1
  Al  Al47  1  0.871674  0.442280  0.375778  1
  Al  Al48  1  0.474224  0.279456  0.424590  1
  Al  Al49  1  0.475634  0.371648  0.540498  1
  Al  Al50  1  0.879072  0.531579  0.495270  1
  Al  Al51  1  0.168837  0.708088  0.504839  1
  Al  Al52  1  0.570345  0.866420  0.459654  1
  Al  Al53  1  0.085854  0.423906  0.467218  1
  Al  Al54  1  0.684855  0.265571  0.513421  1
  Al  Al55  1  0.415425  0.801376  0.503451  1
  Al  Al56  1  0.816215  0.959602  0.458317  1
  Al  Al57  1  0.355588  0.583217  0.539823  1
  Al  Al58  1  0.756377  0.741443  0.494689  1
  Al  Al59  1  0.486948  0.277248  0.484719  1
  Al  Al60  1  0.085949  0.118913  0.530922  1
  Al  Al61  1  0.274762  0.303579  0.502944  1
  Al  Al62  1  0.676950  0.462607  0.457016  1
  Al  Al63  1  0.601458  0.676399  0.538485  1
  Al  Al64  1  1.002966  0.834730  0.493301  1
  Al  Al65  1  0.494852  0.080212  0.541123  1
  Al  Al66  1  0.897040  0.239240  0.495196  1
  Al  Al67  1  0.498341  0.579726  0.481630  1
  Al  Al68  1  0.098565  0.421912  0.527449  1
  Al  Al69  1  0.292730  0.011239  0.502870  1
  Al  Al70  1  0.696169  0.171171  0.457642  1
  Al  Al71  1  0.073238  0.120907  0.470691  1
  Al  Al72  1  0.673461  0.963093  0.516509  1
  Al  Al73  1  0.683323  0.068493  0.634832  1
  Al  Al74  1  0.080502  0.215648  0.588625  1
  Al  Al75  1  0.360707  0.380069  0.597828  1
  Al  Al76  1  0.768163  0.549921  0.549926  1
  Al  Al77  1  0.283068  0.106632  0.559535  1
  Al  Al78  1  0.885088  0.950918  0.605318  1
  Al  Al79  1  0.605850  0.483752  0.591484  1
  Al  Al80  1  0.013991  0.642218  0.548452  1
  Al  Al81  1  0.551620  0.267143  0.629677  1
  Al  Al82  1  0.958717  0.423778  0.584790  1
  Al  Al83  1  0.684801  0.961873  0.577136  1
  Al  Al84  1  0.284822  0.798431  0.621267  1
  Al  Al85  1  0.476084  0.988568  0.595392  1
  Al  Al86  1  0.875400  0.144329  0.549029  1
  Al  Al87  1  0.805205  0.367344  0.627897  1
  Al  Al88  1  0.203973  0.519756  0.583948  1
  Al  Al89  1  0.686077  0.773271  0.630557  1
  Al  Al90  1  0.095510  0.925781  0.586930  1
  Al  Al91  1  0.697578  0.263362  0.573550  1
  Al  Al92  1  0.300129  0.100538  0.622362  1
  Al  Al93  1  0.484921  0.691776  0.593778  1
  Al  Al94  1  0.891777  0.852404  0.548709  1
  Al  Al95  1  0.273391  0.806218  0.561822  1
  Al  Al96  1  0.873270  0.649938  0.604846  1
  Al  Al97  1  0.877506  0.721570  0.720250  1
  Al  Al98  1  0.266684  0.897245  0.674262  1
  Al  Al99  1  0.506280  0.973809  0.697896  1
  Al  Al100  1  0.958294  0.218901  0.643789  1
  Al  Al101  1  0.468568  0.774345  0.651652  1
  Al  Al102  1  0.074578  0.626288  0.698018  1
  Al  Al103  1  0.791328  0.150755  0.689927  1
  Al  Al104  1  0.211498  0.322876  0.643399  1
  Al  Al105  1  0.716944  0.896034  0.721967  1
  Al  Al106  1  0.163351  0.107817  0.679111  1
  Al  Al107  1  0.886148  0.630211  0.664232  1
  Al  Al108  1  0.524957  0.425821  0.714394  1
  Al  Al109  1  0.682896  0.662357  0.682959  1
  Al  Al110  1  0.070823  0.823448  0.638814  1
  Al  Al111  1  0.972648  0.037439  0.717102  1
  Al  Al112  1  0.424877  0.195241  0.679129  1
  Al  Al113  1  0.844791  0.412808  0.720409  1
  Al  Al114  1  0.270345  0.578153  0.676188  1
  Al  Al115  1  0.883232  0.934736  0.664771  1
  Al  Al116  1  0.484115  0.683623  0.706142  1
  Al  Al117  1  0.687486  0.374124  0.675752  1
  Al  Al118  1  0.081948  0.528359  0.638825  1
  Al  Al119  1  0.472166  0.486764  0.655441  1
  Al  Al120  1  0.075514  0.332677  0.697045  1
  Ni  Ni121  1  0.555498  0.321827  0.283461  1
  Ni  Ni122  1  0.255183  0.141494  0.325190  1
  Ni  Ni123  1  0.862039  0.182501  0.305698  1
  Ni  Ni124  1  0.482549  0.009056  0.360515  1
  Ni  Ni125  1  0.129840  0.685839  0.309796  1
  Ni  Ni126  1  0.713451  0.529561  0.351324  1
  Ni  Ni127  1  0.866584  0.779796  0.285592  1
  Ni  Ni128  1  0.511746  0.641276  0.324630  1
  Ni  Ni129  1  0.852225  0.975460  0.370778  1
  Ni  Ni130  1  0.450930  0.808671  0.416327  1
  Ni  Ni131  1  0.079564  0.862658  0.401658  1
  Ni  Ni132  1  0.678873  0.703568  0.446164  1
  Ni  Ni133  1  0.325284  0.365685  0.399086  1
  Ni  Ni134  1  0.926633  0.209410  0.444738  1
  Ni  Ni135  1  0.093859  0.474578  0.366971  1
  Ni  Ni136  1  0.696512  0.315248  0.415686  1
  Ni  Ni137  1  0.047622  0.650718  0.461513  1
  Ni  Ni138  1  0.645690  0.491902  0.507139  1
  Ni  Ni139  1  0.278792  0.546581  0.491526  1
  Ni  Ni140  1  0.878064  0.386642  0.537241  1
  Ni  Ni141  1  0.526113  0.050917  0.491001  1
  Ni  Ni142  1  0.124181  0.892101  0.536627  1
  Ni  Ni143  1  0.293738  0.156177  0.460899  1
  Ni  Ni144  1  0.893011  0.996238  0.506614  1
  Ni  Ni145  1  0.245170  0.333409  0.553401  1
  Ni  Ni146  1  0.846518  0.177134  0.599054  1
  Ni  Ni147  1  0.475291  0.227570  0.582454  1
  Ni  Ni148  1  0.077944  0.068240  0.631169  1
  Ni  Ni149  1  0.720872  0.734148  0.581813  1
  Ni  Ni150  1  0.319577  0.567358  0.627361  1
  Ni  Ni151  1  0.492930  0.839250  0.551976  1
  Ni  Ni152  1  0.092238  0.680161  0.596482  1
  Ni  Ni153  1  0.458352  0.013257  0.646816  1
  Ni  Ni154  1  0.041962  0.856980  0.688343  1
  Ni  Ni155  1  0.660056  0.901543  0.673510  1
  Ni  Ni156  1  0.305219  0.763023  0.712548  1
  Ni  Ni157  1  0.916620  0.401325  0.672950  1
  Ni  Ni158  1  0.616305  0.220992  0.714679  1
  Ni  Ni159  1  0.689254  0.533763  0.637625  1
  Ni  Ni160  1  0.309764  0.360318  0.692441  1
