# generated using pymatgen
data_Al3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.80002492
_cell_length_b   23.35133120
_cell_length_c   56.70243688
_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   6355.60443869
_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  0.607467  0.412972  0.316246  1
  Al  Al2  1  0.615304  0.099708  0.281281  1
  Al  Al3  1  0.612584  0.716478  0.353465  1
  Al  Al4  1  0.126628  0.364237  0.293593  1
  Al  Al5  1  0.134765  0.053404  0.256894  1
  Al  Al6  1  0.133226  0.670465  0.330238  1
  Al  Al7  1  0.119709  0.482872  0.310043  1
  Al  Al8  1  0.134817  0.172377  0.271376  1
  Al  Al9  1  0.127049  0.787611  0.347015  1
  Al  Al10  1  0.624066  0.343631  0.271953  1
  Al  Al11  1  0.644294  0.953194  0.345500  1
  Al  Al12  1  0.644666  0.652524  0.308628  1
  Al  Al13  1  0.393831  0.324225  0.348269  1
  Al  Al14  1  0.382546  1.009674  0.311377  1
  Al  Al15  1  0.169307  0.692957  0.280636  1
  Al  Al16  1  0.885718  0.180405  0.313763  1
  Al  Al17  1  0.899930  0.875371  0.271662  1
  Al  Al18  1  0.881409  0.489052  0.351845  1
  Al  Al19  1  0.385177  0.444406  0.363211  1
  Al  Al20  1  0.388193  0.136818  0.325736  1
  Al  Al21  1  0.405018  0.821166  0.283639  1
  Al  Al22  1  0.890268  0.301553  0.328433  1
  Al  Al23  1  0.882885  0.988921  0.291716  1
  Al  Al24  1  0.898124  0.607736  0.365950  1
  Al  Al25  1  0.626224  0.219414  0.259479  1
  Al  Al26  1  0.605605  0.833393  0.335330  1
  Al  Al27  1  0.592489  0.531469  0.296986  1
  Al  Al28  1  0.891553  0.457842  0.266574  1
  Al  Al29  1  0.910759  0.061703  0.336024  1
  Al  Al30  1  0.911593  0.778956  0.303644  1
  Al  Al31  1  0.409413  0.255194  0.304248  1
  Al  Al32  1  0.385559  0.943236  0.269298  1
  Al  Al33  1  0.409135  0.565368  0.341725  1
  Al  Al34  1  0.109619  0.214905  0.359226  1
  Al  Al35  1  0.112182  0.894422  0.319571  1
  Al  Al36  1  0.068779  0.578853  0.281304  1
  Al  Al37  1  0.609609  0.332961  0.429153  1
  Al  Al38  1  0.615013  0.025037  0.391316  1
  Al  Al39  1  0.610764  0.640104  0.466535  1
  Al  Al40  1  0.130178  0.283726  0.404635  1
  Al  Al41  1  0.139647  0.975753  0.366476  1
  Al  Al42  1  0.130364  0.591106  0.442057  1
  Al  Al43  1  0.127842  0.404730  0.419000  1
  Al  Al44  1  0.133042  0.097318  0.381010  1
  Al  Al45  1  0.131207  0.712675  0.456281  1
  Al  Al46  1  0.627953  0.262148  0.384222  1
  Al  Al47  1  0.631370  0.878098  0.458811  1
  Al  Al48  1  0.628097  0.569328  0.421927  1
  Al  Al49  1  0.392023  0.245647  0.460309  1
  Al  Al50  1  0.397840  0.938853  0.422881  1
  Al  Al51  1  0.400098  0.631460  0.386060  1
  Al  Al52  1  0.895251  0.102901  0.425084  1
  Al  Al53  1  0.888729  0.795228  0.389113  1
  Al  Al54  1  0.893147  0.410213  0.463045  1
  Al  Al55  1  0.392968  0.366065  0.474894  1
  Al  Al56  1  0.395588  0.058911  0.437091  1
  Al  Al57  1  0.391060  0.751172  0.400510  1
  Al  Al58  1  0.891875  0.223505  0.439852  1
  Al  Al59  1  0.897940  0.916434  0.402637  1
  Al  Al60  1  0.891247  0.530725  0.477363  1
  Al  Al61  1  0.632766  0.141002  0.369002  1
  Al  Al62  1  0.631436  0.756645  0.444138  1
  Al  Al63  1  0.627752  0.449053  0.406836  1
  Al  Al64  1  0.909652  0.369896  0.374009  1
  Al  Al65  1  0.914764  0.986927  0.447237  1
  Al  Al66  1  0.913342  0.676728  0.411294  1
  Al  Al67  1  0.412756  0.174408  0.414837  1
  Al  Al68  1  0.416342  0.870137  0.379065  1
  Al  Al69  1  0.410743  0.481630  0.452572  1
  Al  Al70  1  0.110954  0.136421  0.470763  1
  Al  Al71  1  0.112716  0.830115  0.434002  1
  Al  Al72  1  0.107090  0.522095  0.397133  1
  Al  Al73  1  0.610100  0.256579  0.541217  1
  Al  Al74  1  0.612113  0.949357  0.503482  1
  Al  Al75  1  0.606514  0.560850  0.576989  1
  Al  Al76  1  0.130981  0.207483  0.516203  1
  Al  Al77  1  0.131609  0.900262  0.478692  1
  Al  Al78  1  0.124916  0.514553  0.553418  1
  Al  Al79  1  0.127605  0.328087  0.530971  1
  Al  Al80  1  0.129709  0.020775  0.493010  1
  Al  Al81  1  0.134127  0.635759  0.566942  1
  Al  Al82  1  0.630833  0.185341  0.495745  1
  Al  Al83  1  0.622758  0.799528  0.569995  1
  Al  Al84  1  0.625015  0.492135  0.533173  1
  Al  Al85  1  0.394903  0.168839  0.571832  1
  Al  Al86  1  0.394758  0.861659  0.534128  1
  Al  Al87  1  0.391486  0.552889  0.497243  1
  Al  Al88  1  0.895014  0.026257  0.537055  1
  Al  Al89  1  0.891648  0.718312  0.499774  1
  Al  Al90  1  0.889814  0.333669  0.575044  1
  Al  Al91  1  0.390090  0.289985  0.587053  1
  Al  Al92  1  0.395104  0.981935  0.549219  1
  Al  Al93  1  0.391420  0.674342  0.511917  1
  Al  Al94  1  0.892678  0.147262  0.551420  1
  Al  Al95  1  0.892492  0.839881  0.513998  1
  Al  Al96  1  0.883209  0.455234  0.589579  1
  Al  Al97  1  0.629888  0.064923  0.481161  1
  Al  Al98  1  0.631796  0.679815  0.555545  1
  Al  Al99  1  0.627268  0.372077  0.518964  1
  Al  Al100  1  0.911902  0.294567  0.485291  1
  Al  Al101  1  0.915766  0.908892  0.558922  1
  Al  Al102  1  0.910139  0.600872  0.522053  1
  Al  Al103  1  0.413247  0.098026  0.526901  1
  Al  Al104  1  0.412092  0.790884  0.489519  1
  Al  Al105  1  0.407842  0.405950  0.564739  1
  Al  Al106  1  0.113204  0.061091  0.582046  1
  Al  Al107  1  0.109514  0.754259  0.544761  1
  Al  Al108  1  0.108092  0.444060  0.508817  1
  Al  Al109  1  0.613443  0.175794  0.651807  1
  Al  Al110  1  0.613721  0.865619  0.614329  1
  Al  Al111  1  0.637297  0.487751  0.686757  1
  Al  Al112  1  0.132588  0.129434  0.627621  1
  Al  Al113  1  0.124732  0.823251  0.590104  1
  Al  Al114  1  0.139971  0.442067  0.664339  1
  Al  Al115  1  0.137138  0.250583  0.642292  1
  Al  Al116  1  0.141447  0.941936  0.604210  1
  Al  Al117  1  0.122926  0.555616  0.684393  1
  Al  Al118  1  0.629025  0.106762  0.607786  1
  Al  Al119  1  0.853549  0.738030  0.675419  1
  Al  Al120  1  0.640310  0.421314  0.644678  1
  Al  Al121  1  0.398790  0.087357  0.684102  1
  Al  Al122  1  0.378190  0.778463  0.647426  1
  Al  Al123  1  0.378562  0.477794  0.610555  1
  Al  Al124  1  0.903147  0.948116  0.646012  1
  Al  Al125  1  0.895807  0.643376  0.609040  1
  Al  Al126  1  0.888039  0.258610  0.684679  1
  Al  Al127  1  0.396632  0.211573  0.696576  1
  Al  Al128  1  0.430366  0.899519  0.659069  1
  Al  Al129  1  0.417251  0.597595  0.620725  1
  Al  Al130  1  0.896228  0.066751  0.662462  1
  Al  Al131  1  0.889630  0.760523  0.625817  1
  Al  Al132  1  0.888091  0.377583  0.699160  1
  Al  Al133  1  0.637678  0.986581  0.592844  1
  Al  Al134  1  0.617838  0.609821  0.672415  1
  Al  Al135  1  0.634663  0.294169  0.630319  1
  Al  Al136  1  0.913237  0.216083  0.596829  1
  Al  Al137  1  0.954077  0.852135  0.674751  1
  Al  Al138  1  0.910674  0.536565  0.636484  1
  Al  Al139  1  0.415389  0.018016  0.639809  1
  Al  Al140  1  0.410272  0.714509  0.602590  1
  Al  Al141  1  0.407552  0.331279  0.674774  1
  Al  Al142  1  0.131303  0.973146  0.689481  1
  Al  Al143  1  0.111263  0.652032  0.652411  1
  Al  Al144  1  0.112096  0.369284  0.620031  1
  Ni  Ni145  1  0.080425  0.398803  0.334458  1
  Ni  Ni146  1  0.094665  0.088941  0.297343  1
  Ni  Ni147  1  0.659210  0.723627  0.274362  1
  Ni  Ni148  1  0.397450  0.444593  0.276630  1
  Ni  Ni149  1  0.430563  0.051532  0.351093  1
  Ni  Ni150  1  0.415262  0.747449  0.313809  1
  Ni  Ni151  1  0.931223  0.265790  0.287799  1
  Ni  Ni152  1  0.938707  0.878935  0.362142  1
  Ni  Ni153  1  0.925605  0.573629  0.324952  1
  Ni  Ni154  1  0.591727  0.225668  0.343631  1
  Ni  Ni155  1  0.605121  0.907875  0.305834  1
  Ni  Ni156  1  0.554559  0.616144  0.269462  1
  Ni  Ni157  1  0.091419  0.321291  0.445200  1
  Ni  Ni158  1  0.097571  1.014161  0.407177  1
  Ni  Ni159  1  0.086671  0.704824  0.371652  1
  Ni  Ni160  1  0.425907  0.360029  0.389097  1
  Ni  Ni161  1  0.432301  0.975951  0.463425  1
  Ni  Ni162  1  0.429374  0.667450  0.426685  1
  Ni  Ni163  1  0.930019  0.186112  0.399009  1
  Ni  Ni164  1  0.930810  0.801974  0.473656  1
  Ni  Ni165  1  0.927833  0.493311  0.436828  1
  Ni  Ni166  1  0.593306  0.147923  0.454946  1
  Ni  Ni167  1  0.594975  0.840663  0.418431  1
  Ni  Ni168  1  0.586663  0.533272  0.381244  1
  Ni  Ni169  1  0.092837  0.244875  0.557045  1
  Ni  Ni170  1  0.095023  0.937676  0.519227  1
  Ni  Ni171  1  0.092046  0.629013  0.482398  1
  Ni  Ni172  1  0.429550  0.283064  0.501109  1
  Ni  Ni173  1  0.436193  0.897715  0.574811  1
  Ni  Ni174  1  0.427881  0.590325  0.537624  1
  Ni  Ni175  1  0.931437  0.109696  0.510854  1
  Ni  Ni176  1  0.936185  0.726164  0.584403  1
  Ni  Ni177  1  0.925285  0.416826  0.548878  1
  Ni  Ni178  1  0.596949  0.070959  0.566958  1
  Ni  Ni179  1  0.593482  0.763537  0.529370  1
  Ni  Ni180  1  0.590555  0.455036  0.492630  1
  Ni  Ni181  1  0.091633  0.165197  0.668256  1
  Ni  Ni182  1  0.097251  0.857359  0.631103  1
  Ni  Ni183  1  0.084149  0.552053  0.593913  1
  Ni  Ni184  1  0.431129  0.205319  0.612424  1
  Ni  Ni185  1  0.468296  0.814844  0.686592  1
  Ni  Ni186  1  0.417735  0.523113  0.650221  1
  Ni  Ni187  1  0.942431  0.032185  0.621597  1
  Ni  Ni188  1  0.363646  0.707361  0.681693  1
  Ni  Ni189  1  0.928191  0.342046  0.658712  1
  Ni  Ni190  1  0.625406  0.986395  0.679424  1
  Ni  Ni191  1  0.607594  0.683538  0.642245  1
  Ni  Ni192  1  0.592293  0.379455  0.604962  1
