# generated using pymatgen
data_Al3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.06154614
_cell_length_b   15.40323916
_cell_length_c   49.45053690
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   79.04384015
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni
_chemical_formula_sum   'Al144 Ni48'
_cell_volume   6028.54422737
_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  0.630912  0.877082  0.313530  1
  Al  Al2  1  0.811786  0.394325  0.272281  1
  Al  Al3  1  0.913579  0.961657  0.289580  1
  Al  Al4  1  0.728010  0.451231  0.325652  1
  Al  Al5  1  0.790312  0.810805  0.267468  1
  Al  Al6  1  0.793714  0.261454  0.310251  1
  Al  Al7  1  0.800350  0.991463  0.342313  1
  Al  Al8  1  0.973085  0.521962  0.299699  1
  Al  Al9  1  0.274707  0.964264  0.303099  1
  Al  Al10  1  0.489836  0.506603  0.269887  1
  Al  Al11  1  0.487789  0.221474  0.295203  1
  Al  Al12  1  0.314619  0.694256  0.335101  1
  Al  Al13  1  0.381330  0.785663  0.289157  1
  Al  Al14  1  0.212376  0.249054  0.330166  1
  Al  Al15  1  0.552983  0.033445  0.283151  1
  Al  Al16  1  0.385735  0.508646  0.322284  1
  Al  Al17  1  0.088810  0.237921  0.278501  1
  Al  Al18  1  0.904507  0.720350  0.318195  1
  Al  Al19  1  0.078976  0.854611  0.331298  1
  Al  Al20  1  0.253516  0.385754  0.289383  1
  Al  Al21  1  0.460952  0.086618  0.339433  1
  Al  Al22  1  0.637372  0.629628  0.302078  1
  Al  Al23  1  0.024170  0.104973  0.324157  1
  Al  Al24  1  0.194708  0.636744  0.286670  1
  Al  Al25  1  0.311559  0.803216  0.384365  1
  Al  Al26  1  0.481179  0.333915  0.345226  1
  Al  Al27  1  0.550468  0.917663  0.366599  1
  Al  Al28  1  0.385210  0.385759  0.402218  1
  Al  Al29  1  0.618136  0.736571  0.349793  1
  Al  Al30  1  0.450596  0.202953  0.387443  1
  Al  Al31  1  0.458227  0.928091  0.419084  1
  Al  Al32  1  0.632067  0.460463  0.378583  1
  Al  Al33  1  0.973788  0.902873  0.385364  1
  Al  Al34  1  0.133064  0.435129  0.344366  1
  Al  Al35  1  0.145711  0.159649  0.375222  1
  Al  Al36  1  0.974193  0.625065  0.414038  1
  Al  Al37  1  0.038247  0.717235  0.369339  1
  Al  Al38  1  0.861754  0.186644  0.406929  1
  Al  Al39  1  0.216089  0.979907  0.359274  1
  Al  Al40  1  0.040301  0.443731  0.397946  1
  Al  Al41  1  0.730549  0.172885  0.355458  1
  Al  Al42  1  0.563797  0.641673  0.394366  1
  Al  Al43  1  0.738295  0.788503  0.401838  1
  Al  Al44  1  0.908590  0.319041  0.361202  1
  Al  Al45  1  0.118919  0.027422  0.416782  1
  Al  Al46  1  0.286331  0.559167  0.376882  1
  Al  Al47  1  0.690338  0.039210  0.400673  1
  Al  Al48  1  0.859224  0.575074  0.360639  1
  Al  Al49  1  0.968335  0.735882  0.462616  1
  Al  Al50  1  0.139457  0.270270  0.423433  1
  Al  Al51  1  0.213515  0.851538  0.441647  1
  Al  Al52  1  0.045922  0.319049  0.480028  1
  Al  Al53  1  0.281091  0.668906  0.426126  1
  Al  Al54  1  0.112399  0.136444  0.465026  1
  Al  Al55  1  0.120434  0.860444  0.495291  1
  Al  Al56  1  0.291898  0.393999  0.456185  1
  Al  Al57  1  0.625083  0.834479  0.461315  1
  Al  Al58  1  0.795272  0.368095  0.421799  1
  Al  Al59  1  0.805973  0.093074  0.452415  1
  Al  Al60  1  0.635536  0.559571  0.491165  1
  Al  Al61  1  0.691997  0.652958  0.446017  1
  Al  Al62  1  0.523950  0.120152  0.484704  1
  Al  Al63  1  0.870937  0.909718  0.438096  1
  Al  Al64  1  0.702726  0.377080  0.475646  1
  Al  Al65  1  0.396232  0.110170  0.433210  1
  Al  Al66  1  0.223593  0.575650  0.471447  1
  Al  Al67  1  0.396862  0.721953  0.478387  1
  Al  Al68  1  0.568139  0.256248  0.439453  1
  Al  Al69  1  0.777015  0.958999  0.494282  1
  Al  Al70  1  0.947679  0.491888  0.454997  1
  Al  Al71  1  0.349239  0.973418  0.478046  1
  Al  Al72  1  0.519108  0.506549  0.439090  1
  Al  Al73  1  0.629597  0.670593  0.539828  1
  Al  Al74  1  0.800261  0.203482  0.500543  1
  Al  Al75  1  0.874550  0.785401  0.519179  1
  Al  Al76  1  0.706339  0.252763  0.556729  1
  Al  Al77  1  0.941740  0.602910  0.503660  1
  Al  Al78  1  0.771304  0.069407  0.542410  1
  Al  Al79  1  0.782005  0.794386  0.573026  1
  Al  Al80  1  0.952193  0.328002  0.533510  1
  Al  Al81  1  0.285378  0.768482  0.538640  1
  Al  Al82  1  0.456842  0.302037  0.499534  1
  Al  Al83  1  0.464877  0.026037  0.529799  1
  Al  Al84  1  0.296185  0.493575  0.568699  1
  Al  Al85  1  0.353683  0.586831  0.523378  1
  Al  Al86  1  0.181044  0.052311  0.561615  1
  Al  Al87  1  0.531354  0.843432  0.514797  1
  Al  Al88  1  0.363761  0.310943  0.553178  1
  Al  Al89  1  0.053326  0.042329  0.510121  1
  Al  Al90  1  0.885280  0.509523  0.548808  1
  Al  Al91  1  0.058168  0.655932  0.555735  1
  Al  Al92  1  0.228037  0.189063  0.516779  1
  Al  Al93  1  0.437820  0.892211  0.571392  1
  Al  Al94  1  0.608941  0.426599  0.532209  1
  Al  Al95  1  0.009137  0.906233  0.555372  1
  Al  Al96  1  0.180414  0.440528  0.516438  1
  Al  Al97  1  0.290945  0.603314  0.617943  1
  Al  Al98  1  0.458357  0.135059  0.578043  1
  Al  Al99  1  0.536975  0.718750  0.596879  1
  Al  Al100  1  0.361188  0.182574  0.635551  1
  Al  Al101  1  0.603083  0.537416  0.580787  1
  Al  Al102  1  0.431565  1.002832  0.619603  1
  Al  Al103  1  0.444213  0.727352  0.650459  1
  Al  Al104  1  0.603488  0.259608  0.609461  1
  Al  Al105  1  0.945209  0.702018  0.616242  1
  Al  Al106  1  0.119050  0.234390  0.575741  1
  Al  Al107  1  0.126680  0.959528  0.607382  1
  Al  Al108  1  0.959140  0.425910  0.645032  1
  Al  Al109  1  0.013479  0.520808  0.600459  1
  Al  Al110  1  0.846727  0.989596  0.639367  1
  Al  Al111  1  0.192066  0.776722  0.592607  1
  Al  Al112  1  0.026808  0.244818  0.628226  1
  Al  Al113  1  0.715522  0.975837  0.587896  1
  Al  Al114  1  0.539029  0.445246  0.625486  1
  Al  Al115  1  0.718052  0.587407  0.634186  1
  Al  Al116  1  0.886938  0.123271  0.594152  1
  Al  Al117  1  0.096098  0.828566  0.649599  1
  Al  Al118  1  0.265717  0.359265  0.610460  1
  Al  Al119  1  0.668687  0.843440  0.633623  1
  Al  Al120  1  0.838981  0.373978  0.592987  1
  Al  Al121  1  0.939904  0.532853  0.692747  1
  Al  Al122  1  0.116324  0.075863  0.655392  1
  Al  Al123  1  0.191541  0.653835  0.672541  1
  Al  Al124  1  0.024294  0.129036  0.711674  1
  Al  Al125  1  0.262657  0.468225  0.659724  1
  Al  Al126  1  0.089487  0.941007  0.699622  1
  Al  Al127  1  0.087440  0.655878  0.724938  1
  Al  Al128  1  0.302569  0.198218  0.691726  1
  Al  Al129  1  0.604191  0.640519  0.695126  1
  Al  Al130  1  0.776927  0.171018  0.652512  1
  Al  Al131  1  0.783562  0.901027  0.684574  1
  Al  Al132  1  0.786964  0.351676  0.727357  1
  Al  Al133  1  0.672769  0.442131  0.676630  1
  Al  Al134  1  0.488467  0.924560  0.716324  1
  Al  Al135  1  0.849266  0.711250  0.669173  1
  Al  Al136  1  0.663697  0.200825  0.705245  1
  Al  Al137  1  0.364900  0.913427  0.664659  1
  Al  Al138  1  0.195947  0.376818  0.705668  1
  Al  Al139  1  0.382568  0.525738  0.708155  1
  Al  Al140  1  0.553106  0.057508  0.670668  1
  Al  Al141  1  0.765490  0.768156  0.722544  1
  Al  Al142  1  0.946364  0.285399  0.681295  1
  Al  Al143  1  0.323761  0.776727  0.705442  1
  Al  Al144  1  0.498300  0.307870  0.663527  1
  Ni  Ni145  1  0.377953  0.846254  0.335885  1
  Ni  Ni146  1  0.553164  0.374941  0.298285  1
  Ni  Ni147  1  0.069117  0.793380  0.287385  1
  Ni  Ni148  1  0.992269  0.360192  0.311382  1
  Ni  Ni149  1  0.727214  0.108503  0.310116  1
  Ni  Ni150  1  0.894752  0.657939  0.275223  1
  Ni  Ni151  1  0.286119  0.120460  0.299883  1
  Ni  Ni152  1  0.111714  0.595853  0.334433  1
  Ni  Ni153  1  0.034550  0.776689  0.414890  1
  Ni  Ni154  1  0.205006  0.311656  0.375216  1
  Ni  Ni155  1  0.817134  0.833682  0.353033  1
  Ni  Ni156  1  0.651691  0.300517  0.386790  1
  Ni  Ni157  1  0.390122  0.051771  0.387955  1
  Ni  Ni158  1  0.559528  0.585770  0.348392  1
  Ni  Ni159  1  0.947675  0.061773  0.375315  1
  Ni  Ni160  1  0.774507  0.527768  0.413754  1
  Ni  Ni161  1  0.695400  0.710972  0.491891  1
  Ni  Ni162  1  0.867469  0.244764  0.452629  1
  Ni  Ni163  1  0.480239  0.767320  0.426313  1
  Ni  Ni164  1  0.312408  0.234514  0.464889  1
  Ni  Ni165  1  0.051667  0.984607  0.464505  1
  Ni  Ni166  1  0.221245  0.517311  0.425343  1
  Ni  Ni167  1  0.605872  0.995107  0.453043  1
  Ni  Ni168  1  0.435694  0.461838  0.491000  1
  Ni  Ni169  1  0.356031  0.645170  0.569482  1
  Ni  Ni170  1  0.525610  0.177874  0.530320  1
  Ni  Ni171  1  0.141582  0.700643  0.503825  1
  Ni  Ni172  1  0.971404  0.167374  0.541782  1
  Ni  Ni173  1  0.709807  0.917717  0.542196  1
  Ni  Ni174  1  0.881876  0.451509  0.502933  1
  Ni  Ni175  1  0.264868  0.927967  0.529936  1
  Ni  Ni176  1  0.097037  0.395161  0.568512  1
  Ni  Ni177  1  0.017748  0.576711  0.646433  1
  Ni  Ni178  1  0.187154  0.110710  0.606870  1
  Ni  Ni179  1  0.802769  0.634713  0.581071  1
  Ni  Ni180  1  0.629601  0.100708  0.619510  1
  Ni  Ni181  1  0.372270  0.850825  0.619609  1
  Ni  Ni182  1  0.542726  0.385792  0.579935  1
  Ni  Ni183  1  0.925586  0.861964  0.608035  1
  Ni  Ni184  1  0.760143  0.328799  0.641792  1
  Ni  Ni185  1  0.682524  0.504542  0.719602  1
  Ni  Ni186  1  0.850062  0.053978  0.684709  1
  Ni  Ni187  1  0.465562  0.566628  0.660392  1
  Ni  Ni188  1  0.291158  0.042021  0.694942  1
  Ni  Ni189  1  0.024112  0.787540  0.696540  1
  Ni  Ni190  1  0.199323  0.316227  0.658940  1
  Ni  Ni191  1  0.585007  0.802290  0.683443  1
  Ni  Ni192  1  0.508160  0.369101  0.707440  1
