# generated using pymatgen
data_Al3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.09902715
_cell_length_b   21.44866951
_cell_length_c   50.21383589
_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   6568.77404357
_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  0.024321  0.953264  0.302899  1
  Al  Al2  1  1.001253  0.368487  0.338739  1
  Al  Al3  1  0.201463  0.098675  0.285813  1
  Al  Al4  1  0.214996  0.510201  0.319807  1
  Al  Al5  1  0.184932  0.824061  0.309379  1
  Al  Al6  1  0.189289  0.242271  0.347385  1
  Al  Al7  1  0.334976  0.033609  0.329435  1
  Al  Al8  1  0.331928  0.617039  0.295426  1
  Al  Al9  1  0.697222  0.966864  0.341854  1
  Al  Al10  1  0.701946  0.544315  0.304773  1
  Al  Al11  1  0.832274  0.333173  0.288250  1
  Al  Al12  1  0.818148  0.759706  0.326103  1
  Al  Al13  1  0.691487  0.859688  0.295931  1
  Al  Al14  1  0.663729  0.278082  0.333365  1
  Al  Al15  1  0.818382  0.069873  0.313276  1
  Al  Al16  1  0.843222  0.488185  0.350311  1
  Al  Al17  1  0.287857  0.309664  0.302341  1
  Al  Al18  1  0.333355  0.720540  0.337903  1
  Al  Al19  1  0.514715  0.839378  0.350911  1
  Al  Al20  1  0.548537  0.413665  0.318713  1
  Al  Al21  1  0.951211  0.203726  0.302347  1
  Al  Al22  1  1.003692  0.624102  0.335036  1
  Al  Al23  1  0.495602  0.159100  0.320946  1
  Al  Al24  1  0.491742  0.738655  0.286629  1
  Al  Al25  1  0.028754  0.791724  0.372550  1
  Al  Al26  1  0.024116  0.212602  0.408801  1
  Al  Al27  1  0.189843  0.933298  0.356823  1
  Al  Al28  1  0.182457  0.353318  0.393151  1
  Al  Al29  1  0.198858  0.664303  0.382692  1
  Al  Al30  1  0.191899  0.084932  0.419088  1
  Al  Al31  1  0.332480  0.874621  0.400668  1
  Al  Al32  1  0.323016  0.452780  0.365472  1
  Al  Al33  1  0.694199  0.807631  0.412920  1
  Al  Al34  1  0.682640  0.387022  0.376890  1
  Al  Al35  1  0.824124  0.177270  0.359490  1
  Al  Al36  1  0.837116  0.596633  0.394492  1
  Al  Al37  1  0.692487  0.696145  0.368298  1
  Al  Al38  1  0.694098  0.118468  0.404054  1
  Al  Al39  1  0.828467  0.907754  0.385942  1
  Al  Al40  1  0.822114  0.329364  0.421708  1
  Al  Al41  1  0.332926  0.142449  0.374931  1
  Al  Al42  1  0.331501  0.564531  0.410564  1
  Al  Al43  1  0.527895  0.680462  0.422942  1
  Al  Al44  1  0.514001  0.259871  0.387656  1
  Al  Al45  1  1.001650  0.048673  0.369560  1
  Al  Al46  1  0.995739  0.470272  0.405328  1
  Al  Al47  1  0.498175  0.001899  0.390814  1
  Al  Al48  1  0.506099  0.581576  0.353253  1
  Al  Al49  1  0.023895  0.633547  0.444507  1
  Al  Al50  1  0.022430  0.054573  0.480620  1
  Al  Al51  1  0.196084  0.774746  0.427949  1
  Al  Al52  1  0.192626  0.195706  0.464319  1
  Al  Al53  1  0.191076  0.506200  0.454731  1
  Al  Al54  1  0.191508  0.927350  0.490594  1
  Al  Al55  1  0.330855  0.716767  0.472394  1
  Al  Al56  1  0.329600  0.295743  0.437084  1
  Al  Al57  1  0.693128  0.650402  0.484559  1
  Al  Al58  1  0.692088  0.228994  0.449160  1
  Al  Al59  1  0.829969  0.018414  0.431157  1
  Al  Al60  1  0.826870  0.439908  0.466790  1
  Al  Al61  1  0.694315  0.539917  0.439140  1
  Al  Al62  1  0.691998  0.960625  0.475471  1
  Al  Al63  1  0.832301  0.750162  0.457230  1
  Al  Al64  1  0.829902  0.171178  0.493501  1
  Al  Al65  1  0.329974  0.985092  0.446301  1
  Al  Al66  1  0.329178  0.406280  0.481969  1
  Al  Al67  1  0.522484  0.522928  0.494666  1
  Al  Al68  1  0.523609  0.101533  0.459285  1
  Al  Al69  1  0.999809  0.890958  0.441046  1
  Al  Al70  1  0.998141  0.312169  0.477118  1
  Al  Al71  1  0.500499  0.844064  0.462454  1
  Al  Al72  1  0.495085  0.423720  0.426450  1
  Al  Al73  1  0.024228  0.475841  0.516091  1
  Al  Al74  1  0.022560  0.897052  0.552163  1
  Al  Al75  1  0.192467  0.616832  0.499708  1
  Al  Al76  1  0.190068  0.037847  0.535978  1
  Al  Al77  1  0.195499  0.348102  0.526419  1
  Al  Al78  1  0.192400  0.769596  0.562052  1
  Al  Al79  1  0.330281  0.559016  0.544048  1
  Al  Al80  1  0.329241  0.137608  0.508650  1
  Al  Al81  1  0.692769  0.492267  0.556124  1
  Al  Al82  1  0.691514  0.071243  0.520815  1
  Al  Al83  1  0.830861  0.860660  0.502614  1
  Al  Al84  1  0.831293  0.281810  0.538478  1
  Al  Al85  1  0.693191  0.381730  0.511239  1
  Al  Al86  1  0.692395  0.802918  0.546908  1
  Al  Al87  1  0.829743  0.592303  0.528889  1
  Al  Al88  1  0.826284  0.013264  0.565259  1
  Al  Al89  1  0.330371  0.827385  0.517737  1
  Al  Al90  1  0.328054  0.248093  0.554068  1
  Al  Al91  1  0.527284  0.364290  0.566759  1
  Al  Al92  1  0.521870  0.943946  0.530755  1
  Al  Al93  1  0.999939  0.733437  0.512588  1
  Al  Al94  1  0.998474  0.154463  0.548702  1
  Al  Al95  1  0.498760  0.686476  0.533923  1
  Al  Al96  1  0.499885  0.265082  0.498543  1
  Al  Al97  1  0.026630  0.317738  0.587880  1
  Al  Al98  1  0.020719  0.739337  0.623648  1
  Al  Al99  1  0.200255  0.458645  0.571500  1
  Al  Al100  1  0.193902  0.880256  0.607266  1
  Al  Al101  1  0.185253  0.191377  0.598717  1
  Al  Al102  1  0.198245  0.610740  0.633718  1
  Al  Al103  1  0.339729  0.400988  0.616319  1
  Al  Al104  1  0.328170  0.980379  0.580288  1
  Al  Al105  1  0.699353  0.335230  0.627736  1
  Al  Al106  1  0.689889  0.913388  0.592540  1
  Al  Al107  1  0.830470  0.703078  0.574120  1
  Al  Al108  1  0.823511  0.123707  0.610516  1
  Al  Al109  1  0.690868  0.223479  0.582644  1
  Al  Al110  1  0.689443  0.645561  0.618277  1
  Al  Al111  1  0.839911  0.434691  0.600058  1
  Al  Al112  1  0.832526  0.854712  0.636385  1
  Al  Al113  1  0.328271  0.669542  0.589154  1
  Al  Al114  1  0.329882  0.091865  0.624911  1
  Al  Al115  1  0.516270  0.206434  0.639956  1
  Al  Al116  1  0.524194  0.786111  0.602395  1
  Al  Al117  1  0.998253  0.575408  0.584408  1
  Al  Al118  1  0.993615  0.996286  0.620658  1
  Al  Al119  1  0.508368  0.528139  0.605552  1
  Al  Al120  1  0.494474  0.107548  0.570266  1
  Al  Al121  1  0.018677  0.163908  0.658172  1
  Al  Al122  1  0.071158  0.584283  0.690862  1
  Al  Al123  1  0.179147  0.299825  0.642897  1
  Al  Al124  1  0.203987  0.718137  0.679932  1
  Al  Al125  1  0.204221  0.028304  0.667105  1
  Al  Al126  1  0.190095  0.454836  0.704958  1
  Al  Al127  1  0.320423  0.243695  0.688436  1
  Al  Al128  1  0.325147  0.821146  0.651354  1
  Al  Al129  1  0.690441  0.170971  0.697783  1
  Al  Al130  1  0.687393  0.754401  0.663773  1
  Al  Al131  1  0.833080  0.545739  0.645823  1
  Al  Al132  1  0.837437  0.963949  0.683829  1
  Al  Al133  1  0.689014  0.067470  0.655306  1
  Al  Al134  1  0.734512  0.478346  0.690868  1
  Al  Al135  1  0.807373  0.277809  0.673401  1
  Al  Al136  1  0.820906  0.689335  0.707396  1
  Al  Al137  1  0.358640  0.509928  0.659844  1
  Al  Al138  1  0.330882  0.928322  0.697278  1
  Al  Al139  1  0.530627  0.049355  0.706580  1
  Al  Al140  1  0.526767  0.628910  0.672263  1
  Al  Al141  1  0.021116  0.419522  0.654469  1
  Al  Al142  1  0.998048  0.834746  0.690309  1
  Al  Al143  1  0.473832  0.374345  0.674495  1
  Al  Al144  1  0.507654  0.948632  0.642298  1
  Ni  Ni145  1  0.897346  0.868928  0.338576  1
  Ni  Ni146  1  0.918638  0.444211  0.302719  1
  Ni  Ni147  1  0.398011  0.921752  0.315518  1
  Ni  Ni148  1  0.374831  0.341752  0.351165  1
  Ni  Ni149  1  0.120480  0.129441  0.334106  1
  Ni  Ni150  1  0.081109  0.707249  0.298396  1
  Ni  Ni151  1  0.581203  0.237946  0.286607  1
  Ni  Ni152  1  0.653983  0.658725  0.319102  1
  Ni  Ni153  1  0.903025  0.709852  0.409600  1
  Ni  Ni154  1  0.890455  0.288171  0.374466  1
  Ni  Ni155  1  0.401108  0.762311  0.385763  1
  Ni  Ni156  1  0.397756  0.182743  0.422508  1
  Ni  Ni157  1  0.124272  0.972341  0.404404  1
  Ni  Ni158  1  0.139722  0.550924  0.368651  1
  Ni  Ni159  1  0.628989  0.078158  0.356742  1
  Ni  Ni160  1  0.620587  0.500189  0.391264  1
  Ni  Ni161  1  0.896761  0.552271  0.481386  1
  Ni  Ni162  1  0.898350  0.131182  0.445886  1
  Ni  Ni163  1  0.399007  0.604228  0.457802  1
  Ni  Ni164  1  0.397036  0.025180  0.493988  1
  Ni  Ni165  1  0.125944  0.814785  0.475736  1
  Ni  Ni166  1  0.120773  0.393437  0.440259  1
  Ni  Ni167  1  0.624628  0.920510  0.427817  1
  Ni  Ni168  1  0.623562  0.341723  0.463784  1
  Ni  Ni169  1  0.901596  0.394573  0.552950  1
  Ni  Ni170  1  0.896425  0.973225  0.517473  1
  Ni  Ni171  1  0.398807  0.446287  0.529425  1
  Ni  Ni172  1  0.397741  0.867499  0.565391  1
  Ni  Ni173  1  0.124019  0.656828  0.547322  1
  Ni  Ni174  1  0.125608  0.235739  0.511822  1
  Ni  Ni175  1  0.625333  0.762829  0.499220  1
  Ni  Ni176  1  0.623362  0.183782  0.535406  1
  Ni  Ni177  1  0.882647  0.237086  0.624557  1
  Ni  Ni178  1  0.898096  0.815669  0.588804  1
  Ni  Ni179  1  0.401782  0.287821  0.601944  1
  Ni  Ni180  1  0.393380  0.709852  0.636466  1
  Ni  Ni181  1  0.131914  0.499839  0.618742  1
  Ni  Ni182  1  0.119344  0.078158  0.583608  1
  Ni  Ni183  1  0.624613  0.605267  0.570701  1
  Ni  Ni184  1  0.621261  0.025699  0.607446  1
  Ni  Ni185  1  0.941260  0.080761  0.694812  1
  Ni  Ni186  1  0.901889  0.658569  0.659102  1
  Ni  Ni187  1  0.368386  0.129285  0.674106  1
  Ni  Ni188  1  0.441165  0.550064  0.706601  1
  Ni  Ni189  1  0.103731  0.343799  0.690490  1
  Ni  Ni190  1  0.125023  0.919082  0.654633  1
  Ni  Ni191  1  0.647538  0.446258  0.642043  1
  Ni  Ni192  1  0.624358  0.866258  0.677690  1
