# generated using pymatgen
data_Al3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.09899615
_cell_length_b   21.44871577
_cell_length_c   50.21392343
_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   6568.76627384
_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  0.024324  0.953260  0.302898  1
  Al  Al2  1  1.001241  0.368485  0.338739  1
  Al  Al3  1  0.201485  0.098683  0.285812  1
  Al  Al4  1  0.214995  0.510200  0.319806  1
  Al  Al5  1  0.184937  0.824060  0.309378  1
  Al  Al6  1  0.189297  0.242270  0.347383  1
  Al  Al7  1  0.334980  0.033608  0.329433  1
  Al  Al8  1  0.331931  0.617037  0.295425  1
  Al  Al9  1  0.697228  0.966862  0.341854  1
  Al  Al10  1  0.701951  0.544314  0.304772  1
  Al  Al11  1  0.832246  0.333171  0.288250  1
  Al  Al12  1  0.818152  0.759704  0.326102  1
  Al  Al13  1  0.691490  0.859686  0.295930  1
  Al  Al14  1  0.663715  0.278080  0.333365  1
  Al  Al15  1  0.818403  0.069870  0.313275  1
  Al  Al16  1  0.843223  0.488183  0.350310  1
  Al  Al17  1  0.287841  0.309670  0.302339  1
  Al  Al18  1  0.333357  0.720539  0.337902  1
  Al  Al19  1  0.514718  0.839377  0.350910  1
  Al  Al20  1  0.548537  0.413666  0.318713  1
  Al  Al21  1  0.951190  0.203726  0.302346  1
  Al  Al22  1  1.003696  0.624101  0.335035  1
  Al  Al23  1  0.495624  0.159095  0.320947  1
  Al  Al24  1  0.491746  0.738653  0.286628  1
  Al  Al25  1  0.028756  0.791722  0.372550  1
  Al  Al26  1  0.024121  0.212601  0.408800  1
  Al  Al27  1  0.189848  0.933297  0.356822  1
  Al  Al28  1  0.182458  0.353318  0.393150  1
  Al  Al29  1  0.198860  0.664302  0.382691  1
  Al  Al30  1  0.191904  0.084931  0.419087  1
  Al  Al31  1  0.332483  0.874620  0.400667  1
  Al  Al32  1  0.323012  0.452780  0.365471  1
  Al  Al33  1  0.694203  0.807630  0.412919  1
  Al  Al34  1  0.682636  0.387020  0.376889  1
  Al  Al35  1  0.824135  0.177269  0.359490  1
  Al  Al36  1  0.837116  0.596631  0.394491  1
  Al  Al37  1  0.692490  0.696143  0.368297  1
  Al  Al38  1  0.694104  0.118466  0.404053  1
  Al  Al39  1  0.828471  0.907752  0.385942  1
  Al  Al40  1  0.822114  0.329363  0.421707  1
  Al  Al41  1  0.332933  0.142449  0.374930  1
  Al  Al42  1  0.331501  0.564530  0.410563  1
  Al  Al43  1  0.527896  0.680461  0.422941  1
  Al  Al44  1  0.514001  0.259870  0.387655  1
  Al  Al45  1  1.001661  0.048672  0.369559  1
  Al  Al46  1  0.995739  0.470271  0.405328  1
  Al  Al47  1  0.498180  0.001898  0.390813  1
  Al  Al48  1  0.506100  0.581574  0.353252  1
  Al  Al49  1  0.023895  0.633546  0.444506  1
  Al  Al50  1  0.022433  0.054572  0.480619  1
  Al  Al51  1  0.196087  0.774745  0.427948  1
  Al  Al52  1  0.192631  0.195706  0.464318  1
  Al  Al53  1  0.191077  0.506199  0.454730  1
  Al  Al54  1  0.191511  0.927349  0.490593  1
  Al  Al55  1  0.330856  0.716766  0.472393  1
  Al  Al56  1  0.329603  0.295741  0.437083  1
  Al  Al57  1  0.693130  0.650401  0.484558  1
  Al  Al58  1  0.692092  0.228993  0.449159  1
  Al  Al59  1  0.829973  0.018413  0.431156  1
  Al  Al60  1  0.826870  0.439907  0.466789  1
  Al  Al61  1  0.694315  0.539916  0.439139  1
  Al  Al62  1  0.692002  0.960623  0.475470  1
  Al  Al63  1  0.832302  0.750161  0.457229  1
  Al  Al64  1  0.829906  0.171176  0.493500  1
  Al  Al65  1  0.329977  0.985091  0.446300  1
  Al  Al66  1  0.329181  0.406280  0.481968  1
  Al  Al67  1  0.522484  0.522927  0.494665  1
  Al  Al68  1  0.523613  0.101532  0.459284  1
  Al  Al69  1  0.999813  0.890957  0.441045  1
  Al  Al70  1  0.998144  0.312168  0.477117  1
  Al  Al71  1  0.500502  0.844063  0.462453  1
  Al  Al72  1  0.495087  0.423719  0.426449  1
  Al  Al73  1  0.024230  0.475840  0.516090  1
  Al  Al74  1  0.022561  0.897051  0.552162  1
  Al  Al75  1  0.192468  0.616832  0.499707  1
  Al  Al76  1  0.190072  0.037847  0.535977  1
  Al  Al77  1  0.195504  0.348100  0.526418  1
  Al  Al78  1  0.192401  0.769595  0.562051  1
  Al  Al79  1  0.330282  0.559015  0.544047  1
  Al  Al80  1  0.329244  0.137607  0.508649  1
  Al  Al81  1  0.692771  0.492266  0.556124  1
  Al  Al82  1  0.691518  0.071242  0.520814  1
  Al  Al83  1  0.830863  0.860659  0.502614  1
  Al  Al84  1  0.831297  0.281809  0.538477  1
  Al  Al85  1  0.693193  0.381728  0.511238  1
  Al  Al86  1  0.692397  0.802916  0.546907  1
  Al  Al87  1  0.829743  0.592302  0.528888  1
  Al  Al88  1  0.826287  0.013262  0.565259  1
  Al  Al89  1  0.330372  0.827384  0.517737  1
  Al  Al90  1  0.328059  0.248092  0.554067  1
  Al  Al91  1  0.527288  0.364289  0.566758  1
  Al  Al92  1  0.521872  0.943945  0.530754  1
  Al  Al93  1  0.999941  0.733436  0.512587  1
  Al  Al94  1  0.998479  0.154462  0.548701  1
  Al  Al95  1  0.498761  0.686476  0.533923  1
  Al  Al96  1  0.499890  0.265081  0.498542  1
  Al  Al97  1  0.026636  0.317737  0.587879  1
  Al  Al98  1  0.020713  0.739336  0.623648  1
  Al  Al99  1  0.200260  0.458645  0.571499  1
  Al  Al100  1  0.193903  0.880256  0.607265  1
  Al  Al101  1  0.185258  0.191376  0.598716  1
  Al  Al102  1  0.198239  0.610739  0.633717  1
  Al  Al103  1  0.339738  0.400987  0.616317  1
  Al  Al104  1  0.328172  0.980378  0.580287  1
  Al  Al105  1  0.699362  0.335228  0.627735  1
  Al  Al106  1  0.689892  0.913387  0.592539  1
  Al  Al107  1  0.830470  0.703077  0.574120  1
  Al  Al108  1  0.823514  0.123706  0.610515  1
  Al  Al109  1  0.690874  0.223477  0.582643  1
  Al  Al110  1  0.689441  0.645559  0.618277  1
  Al  Al111  1  0.839916  0.434690  0.600056  1
  Al  Al112  1  0.832526  0.854710  0.636385  1
  Al  Al113  1  0.328270  0.669542  0.589154  1
  Al  Al114  1  0.329884  0.091865  0.624910  1
  Al  Al115  1  0.516274  0.206433  0.639955  1
  Al  Al116  1  0.524194  0.786110  0.602394  1
  Al  Al117  1  0.998253  0.575407  0.584407  1
  Al  Al118  1  0.993618  0.996285  0.620657  1
  Al  Al119  1  0.508373  0.528137  0.605552  1
  Al  Al120  1  0.494478  0.107547  0.570265  1
  Al  Al121  1  0.018678  0.163907  0.658171  1
  Al  Al122  1  0.071184  0.584282  0.690860  1
  Al  Al123  1  0.179151  0.299824  0.642896  1
  Al  Al124  1  0.203971  0.718138  0.679931  1
  Al  Al125  1  0.204223  0.028303  0.667104  1
  Al  Al126  1  0.190128  0.454837  0.704957  1
  Al  Al127  1  0.320423  0.243694  0.688435  1
  Al  Al128  1  0.325146  0.821145  0.651353  1
  Al  Al129  1  0.690443  0.170971  0.697782  1
  Al  Al130  1  0.687394  0.754400  0.663773  1
  Al  Al131  1  0.833078  0.545738  0.645823  1
  Al  Al132  1  0.837437  0.963948  0.683828  1
  Al  Al133  1  0.689017  0.067469  0.655305  1
  Al  Al134  1  0.734534  0.478338  0.690867  1
  Al  Al135  1  0.807380  0.277808  0.673400  1
  Al  Al136  1  0.820889  0.689325  0.707395  1
  Al  Al137  1  0.358659  0.509928  0.659842  1
  Al  Al138  1  0.330884  0.928322  0.697277  1
  Al  Al139  1  0.530628  0.049355  0.706579  1
  Al  Al140  1  0.526750  0.628913  0.672260  1
  Al  Al141  1  0.021133  0.419522  0.654468  1
  Al  Al142  1  0.998050  0.834747  0.690309  1
  Al  Al143  1  0.473837  0.374342  0.674494  1
  Al  Al144  1  0.507656  0.948631  0.642297  1
  Ni  Ni145  1  0.897351  0.868927  0.338575  1
  Ni  Ni146  1  0.918641  0.444208  0.302718  1
  Ni  Ni147  1  0.398017  0.921750  0.315518  1
  Ni  Ni148  1  0.374823  0.341753  0.351164  1
  Ni  Ni149  1  0.120491  0.129442  0.334105  1
  Ni  Ni150  1  0.081111  0.707248  0.298395  1
  Ni  Ni151  1  0.581168  0.237943  0.286608  1
  Ni  Ni152  1  0.653985  0.658723  0.319101  1
  Ni  Ni153  1  0.903027  0.709851  0.409599  1
  Ni  Ni154  1  0.890459  0.288170  0.374465  1
  Ni  Ni155  1  0.401111  0.762310  0.385762  1
  Ni  Ni156  1  0.397762  0.182742  0.422507  1
  Ni  Ni157  1  0.124276  0.972340  0.404403  1
  Ni  Ni158  1  0.139722  0.550923  0.368650  1
  Ni  Ni159  1  0.628995  0.078156  0.356741  1
  Ni  Ni160  1  0.620586  0.500188  0.391263  1
  Ni  Ni161  1  0.896762  0.552270  0.481385  1
  Ni  Ni162  1  0.898355  0.131181  0.445885  1
  Ni  Ni163  1  0.399008  0.604227  0.457801  1
  Ni  Ni164  1  0.397040  0.025179  0.493987  1
  Ni  Ni165  1  0.125946  0.814784  0.475735  1
  Ni  Ni166  1  0.120773  0.393436  0.440258  1
  Ni  Ni167  1  0.624631  0.920509  0.427816  1
  Ni  Ni168  1  0.623564  0.341722  0.463783  1
  Ni  Ni169  1  0.901601  0.394572  0.552949  1
  Ni  Ni170  1  0.896428  0.973224  0.517472  1
  Ni  Ni171  1  0.398810  0.446286  0.529424  1
  Ni  Ni172  1  0.397743  0.867498  0.565391  1
  Ni  Ni173  1  0.124019  0.656827  0.547321  1
  Ni  Ni174  1  0.125612  0.235738  0.511821  1
  Ni  Ni175  1  0.625334  0.762828  0.499219  1
  Ni  Ni176  1  0.623366  0.183780  0.535405  1
  Ni  Ni177  1  0.882652  0.237084  0.624556  1
  Ni  Ni178  1  0.898098  0.815667  0.588803  1
  Ni  Ni179  1  0.401788  0.287820  0.601943  1
  Ni  Ni180  1  0.393379  0.709852  0.636465  1
  Ni  Ni181  1  0.131915  0.499838  0.618741  1
  Ni  Ni182  1  0.119347  0.078156  0.583607  1
  Ni  Ni183  1  0.624612  0.605266  0.570700  1
  Ni  Ni184  1  0.621263  0.025698  0.607445  1
  Ni  Ni185  1  0.941263  0.080760  0.694811  1
  Ni  Ni186  1  0.901883  0.658566  0.659102  1
  Ni  Ni187  1  0.368389  0.129284  0.674106  1
  Ni  Ni188  1  0.441206  0.550065  0.706599  1
  Ni  Ni189  1  0.103733  0.343800  0.690489  1
  Ni  Ni190  1  0.125023  0.919081  0.654632  1
  Ni  Ni191  1  0.647552  0.446255  0.642043  1
  Ni  Ni192  1  0.624357  0.866257  0.677689  1
