# generated using pymatgen
data_Al3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.83986194
_cell_length_b   16.21888173
_cell_length_c   49.00209367
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   79.25253828
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni
_chemical_formula_sum   'Al144 Ni48'
_cell_volume   6121.50548503
_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  0.579616  0.894095  0.306795  1
  Al  Al2  1  0.755441  0.421980  0.271204  1
  Al  Al3  1  0.848248  0.015754  0.287007  1
  Al  Al4  1  0.650599  0.483627  0.325203  1
  Al  Al5  1  0.877629  0.824702  0.272079  1
  Al  Al6  1  0.730077  0.286824  0.309470  1
  Al  Al7  1  0.721616  0.016239  0.338631  1
  Al  Al8  1  0.907366  0.546177  0.299961  1
  Al  Al9  1  0.224423  0.997328  0.307292  1
  Al  Al10  1  0.413164  0.526689  0.269049  1
  Al  Al11  1  0.406668  0.251783  0.295554  1
  Al  Al12  1  0.226618  0.724553  0.336965  1
  Al  Al13  1  0.324979  0.797596  0.290755  1
  Al  Al14  1  0.129554  0.270765  0.330597  1
  Al  Al15  1  0.488043  0.058776  0.283645  1
  Al  Al16  1  0.305232  0.528978  0.321761  1
  Al  Al17  1  0.020756  0.272327  0.277283  1
  Al  Al18  1  0.830165  0.737939  0.317817  1
  Al  Al19  1  0.993119  0.880108  0.322859  1
  Al  Al20  1  0.175908  0.411812  0.288040  1
  Al  Al21  1  0.381474  0.118763  0.339213  1
  Al  Al22  1  0.550818  0.644774  0.302019  1
  Al  Al23  1  0.957192  0.131625  0.325826  1
  Al  Al24  1  0.130881  0.662469  0.286847  1
  Al  Al25  1  0.209351  0.835221  0.383148  1
  Al  Al26  1  0.390710  0.362068  0.344203  1
  Al  Al27  1  0.466199  0.954604  0.362754  1
  Al  Al28  1  0.286856  0.425683  0.401833  1
  Al  Al29  1  0.540763  0.759414  0.347149  1
  Al  Al30  1  0.362403  0.228628  0.385593  1
  Al  Al31  1  0.363055  0.957555  0.415633  1
  Al  Al32  1  0.543392  0.485656  0.377209  1
  Al  Al33  1  0.865873  0.937947  0.384742  1
  Al  Al34  1  0.051371  0.467735  0.346584  1
  Al  Al35  1  0.044511  0.195279  0.376388  1
  Al  Al36  1  0.863836  0.665900  0.414585  1
  Al  Al37  1  0.944279  0.742982  0.369215  1
  Al  Al38  1  0.758089  0.214016  0.407237  1
  Al  Al39  1  0.120419  0.998066  0.359815  1
  Al  Al40  1  0.939478  0.469759  0.398572  1
  Al  Al41  1  0.647591  0.209749  0.354811  1
  Al  Al42  1  0.469178  0.682333  0.393386  1
  Al  Al43  1  0.631512  0.823782  0.399160  1
  Al  Al44  1  0.812648  0.351408  0.361126  1
  Al  Al45  1  0.020594  0.060008  0.416768  1
  Al  Al46  1  0.203059  0.589315  0.378553  1
  Al  Al47  1  0.595424  0.071597  0.401247  1
  Al  Al48  1  0.776968  0.601647  0.361997  1
  Al  Al49  1  0.845958  0.776635  0.460854  1
  Al  Al50  1  0.025925  0.305988  0.422195  1
  Al  Al51  1  0.106988  0.896804  0.440469  1
  Al  Al52  1  0.926097  0.367082  0.479008  1
  Al  Al53  1  0.182266  0.699940  0.424380  1
  Al  Al54  1  1.001723  0.170526  0.462948  1
  Al  Al55  1  1.001767  0.899122  0.493049  1
  Al  Al56  1  0.181888  0.428303  0.454386  1
  Al  Al57  1  0.502995  0.879145  0.461610  1
  Al  Al58  1  0.683238  0.408240  0.423009  1
  Al  Al59  1  0.683692  0.136630  0.453130  1
  Al  Al60  1  0.503257  0.607509  0.491691  1
  Al  Al61  1  0.578314  0.684944  0.445788  1
  Al  Al62  1  0.397663  0.155628  0.484242  1
  Al  Al63  1  0.759318  0.940405  0.437159  1
  Al  Al64  1  0.578734  0.410983  0.475580  1
  Al  Al65  1  0.287111  0.151781  0.431570  1
  Al  Al66  1  0.106895  0.622577  0.470306  1
  Al  Al67  1  0.269801  0.764972  0.476035  1
  Al  Al68  1  0.450074  0.294022  0.437428  1
  Al  Al69  1  0.658606  1.001610  0.493790  1
  Al  Al70  1  0.838460  0.530886  0.455120  1
  Al  Al71  1  0.235241  0.013252  0.478633  1
  Al  Al72  1  0.415723  0.542598  0.439982  1
  Al  Al73  1  0.486109  0.717912  0.538068  1
  Al  Al74  1  0.665964  0.247187  0.499398  1
  Al  Al75  1  0.745835  0.837815  0.517608  1
  Al  Al76  1  0.565252  0.308393  0.556029  1
  Al  Al77  1  0.821312  0.641289  0.501497  1
  Al  Al78  1  0.640878  0.112168  0.540058  1
  Al  Al79  1  0.641332  0.840558  0.570179  1
  Al  Al80  1  0.821575  0.369653  0.531578  1
  Al  Al81  1  0.142682  0.820495  0.538802  1
  Al  Al82  1  0.322803  0.349676  0.500139  1
  Al  Al83  1  0.322847  0.078272  0.530240  1
  Al  Al84  1  0.142304  0.548858  0.568808  1
  Al  Al85  1  0.217674  0.626221  0.522882  1
  Al  Al86  1  0.037459  0.097017  0.561618  1
  Al  Al87  1  0.398473  0.881715  0.514179  1
  Al  Al88  1  0.217582  0.351994  0.552719  1
  Al  Al89  1  0.926907  0.093170  0.508946  1
  Al  Al90  1  0.746256  0.563854  0.547400  1
  Al  Al91  1  0.908847  0.706200  0.553205  1
  Al  Al92  1  0.089329  0.235546  0.514555  1
  Al  Al93  1  0.298644  0.942810  0.570993  1
  Al  Al94  1  0.478612  0.472163  0.532334  1
  Al  Al95  1  0.874496  0.954776  0.555760  1
  Al  Al96  1  0.054768  0.483826  0.517153  1
  Al  Al97  1  0.121511  0.659483  0.614635  1
  Al  Al98  1  0.303976  0.188790  0.576420  1
  Al  Al99  1  0.385092  0.779039  0.594616  1
  Al  Al100  1  0.204151  0.250732  0.633372  1
  Al  Al101  1  0.460733  0.582898  0.578603  1
  Al  Al102  1  0.280058  0.053519  0.616800  1
  Al  Al103  1  0.273199  0.781062  0.646604  1
  Al  Al104  1  0.458697  0.310851  0.608446  1
  Al  Al105  1  0.781177  0.763142  0.615978  1
  Al  Al106  1  0.961515  0.291243  0.577555  1
  Al  Al107  1  0.962167  0.020169  0.607594  1
  Al  Al108  1  0.783807  0.489384  0.646038  1
  Al  Al109  1  0.855392  0.566465  0.599801  1
  Al  Al110  1  0.676978  0.039049  0.638376  1
  Al  Al111  1  0.037714  0.823114  0.591355  1
  Al  Al112  1  0.858370  0.294194  0.630434  1
  Al  Al113  1  0.566480  0.034782  0.585950  1
  Al  Al114  1  0.380291  0.505816  0.623973  1
  Al  Al115  1  0.547601  0.647151  0.631191  1
  Al  Al116  1  0.729146  0.177200  0.591941  1
  Al  Al117  1  0.933860  0.886730  0.648984  1
  Al  Al118  1  0.115218  0.413576  0.610039  1
  Al  Al119  1  0.511921  0.897390  0.632061  1
  Al  Al120  1  0.693058  0.425016  0.594028  1
  Al  Al121  1  0.773751  0.604024  0.691169  1
  Al  Al122  1  0.943095  0.130035  0.653974  1
  Al  Al123  1  0.019338  0.719820  0.671427  1
  Al  Al124  1  0.836526  0.190022  0.709542  1
  Al  Al125  1  0.097951  0.524245  0.656222  1
  Al  Al126  1  0.917901  0.997015  0.697634  1
  Al  Al127  1  0.911406  0.722109  0.724139  1
  Al  Al128  1  0.100146  0.251470  0.685896  1
  Al  Al129  1  0.417204  0.702621  0.693227  1
  Al  Al130  1  0.602954  0.232559  0.654556  1
  Al  Al131  1  0.594493  0.961974  0.683717  1
  Al  Al132  1  0.446940  0.424095  0.721108  1
  Al  Al133  1  0.494404  0.510859  0.675370  1
  Al  Al134  1  0.303813  0.976471  0.715905  1
  Al  Al135  1  0.673971  0.765170  0.667984  1
  Al  Al136  1  0.476322  0.233044  0.706181  1
  Al  Al137  1  0.195016  0.978032  0.662591  1
  Al  Al138  1  0.999591  0.451202  0.702433  1
  Al  Al139  1  0.193688  0.586329  0.706341  1
  Al  Al140  1  0.367378  0.117172  0.667362  1
  Al  Al141  1  0.569128  0.826817  0.721984  1
  Al  Al142  1  0.744954  0.354703  0.686393  1
  Al  Al143  1  0.148661  0.836986  0.705148  1
  Al  Al144  1  0.331450  0.368690  0.670329  1
  Ni  Ni145  1  0.299053  0.871249  0.335419  1
  Ni  Ni146  1  0.485966  0.398228  0.297752  1
  Ni  Ni147  1  0.103718  0.911876  0.274656  1
  Ni  Ni148  1  0.919723  0.389054  0.313568  1
  Ni  Ni149  1  0.656571  0.142956  0.309784  1
  Ni  Ni150  1  0.806090  0.675471  0.272787  1
  Ni  Ni151  1  0.206300  0.148200  0.296992  1
  Ni  Ni152  1  0.038455  0.621159  0.335927  1
  Ni  Ni153  1  0.937948  0.812713  0.413770  1
  Ni  Ni154  1  0.118736  0.341757  0.375036  1
  Ni  Ni155  1  0.735809  0.860679  0.350360  1
  Ni  Ni156  1  0.552008  0.331690  0.387759  1
  Ni  Ni157  1  0.289783  0.082380  0.386467  1
  Ni  Ni158  1  0.470003  0.611953  0.349358  1
  Ni  Ni159  1  0.854089  0.091962  0.374101  1
  Ni  Ni160  1  0.672454  0.563396  0.412138  1
  Ni  Ni161  1  0.576005  0.753926  0.490774  1
  Ni  Ni162  1  0.756368  0.283115  0.452182  1
  Ni  Ni163  1  0.372449  0.803068  0.426391  1
  Ni  Ni164  1  0.192385  0.273423  0.464898  1
  Ni  Ni165  1  0.929030  0.024268  0.463948  1
  Ni  Ni166  1  0.109411  0.553493  0.425395  1
  Ni  Ni167  1  0.492250  0.034013  0.450970  1
  Ni  Ni168  1  0.312186  0.504638  0.489595  1
  Ni  Ni169  1  0.215159  0.695305  0.567792  1
  Ni  Ni170  1  0.395540  0.224530  0.529239  1
  Ni  Ni171  1  0.012383  0.744160  0.503593  1
  Ni  Ni172  1  0.832320  0.214785  0.542218  1
  Ni  Ni173  1  0.568201  0.965683  0.541005  1
  Ni  Ni174  1  0.748565  0.494871  0.502414  1
  Ni  Ni175  1  0.132184  0.975375  0.528289  1
  Ni  Ni176  1  0.952121  0.445730  0.566796  1
  Ni  Ni177  1  0.854566  0.636845  0.643829  1
  Ni  Ni178  1  0.034786  0.166417  0.606720  1
  Ni  Ni179  1  0.652115  0.685402  0.581050  1
  Ni  Ni180  1  0.470481  0.156836  0.619087  1
  Ni  Ni181  1  0.205834  0.907041  0.618152  1
  Ni  Ni182  1  0.386621  0.436085  0.579418  1
  Ni  Ni183  1  0.772561  0.917108  0.605429  1
  Ni  Ni184  1  0.588761  0.388119  0.642827  1
  Ni  Ni185  1  0.518480  0.573327  0.720400  1
  Ni  Ni186  1  0.667999  0.105841  0.683403  1
  Ni  Ni187  1  0.286114  0.627639  0.657261  1
  Ni  Ni188  1  0.118269  0.100598  0.696196  1
  Ni  Ni189  1  0.838603  0.850570  0.695435  1
  Ni  Ni190  1  0.025517  0.377549  0.657768  1
  Ni  Ni191  1  0.404846  0.859744  0.679620  1
  Ni  Ni192  1  0.220852  0.336922  0.718532  1
