# generated using pymatgen
data_Al3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.85967097
_cell_length_b   24.36302776
_cell_length_c   53.97144386
_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   6390.01918914
_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  0.614796  0.669413  0.357786  1
  Al  Al2  1  0.586563  0.880956  0.288500  1
  Al  Al3  1  0.609939  0.272859  0.321245  1
  Al  Al4  1  0.145882  0.665048  0.323479  1
  Al  Al5  1  0.131005  0.062079  0.358823  1
  Al  Al6  1  0.130137  0.268544  0.288653  1
  Al  Al7  1  0.136236  0.743532  0.368908  1
  Al  Al8  1  0.105227  0.947778  0.292726  1
  Al  Al9  1  0.144734  0.343140  0.332517  1
  Al  Al10  1  0.644707  0.675439  0.302899  1
  Al  Al11  1  0.627729  0.073440  0.337600  1
  Al  Al12  1  0.644756  0.472428  0.375629  1
  Al  Al13  1  0.380165  0.768544  0.288653  1
  Al  Al14  1  0.364420  0.165048  0.323479  1
  Al  Al15  1  0.379297  0.562079  0.358823  1
  Al  Al16  1  0.872572  0.891953  0.332844  1
  Al  Al17  1  0.872181  0.291237  0.369090  1
  Al  Al18  1  0.907656  0.498715  0.293975  1
  Al  Al19  1  0.365568  0.843140  0.332517  1
  Al  Al20  1  0.374065  0.243532  0.368908  1
  Al  Al21  1  0.405074  0.447778  0.292726  1
  Al  Al22  1  0.865546  0.972428  0.375629  1
  Al  Al23  1  0.865595  0.175439  0.302899  1
  Al  Al24  1  0.882572  0.573440  0.337600  1
  Al  Al25  1  0.638121  0.791237  0.369090  1
  Al  Al26  1  0.602645  0.998715  0.293975  1
  Al  Al27  1  0.637730  0.391953  0.332844  1
  Al  Al28  1  0.900363  0.772859  0.321245  1
  Al  Al29  1  0.895506  0.169413  0.357786  1
  Al  Al30  1  0.923739  0.380956  0.288500  1
  Al  Al31  1  0.391085  0.962190  0.339825  1
  Al  Al32  1  0.411555  0.364091  0.379431  1
  Al  Al33  1  0.417058  0.565362  0.304001  1
  Al  Al34  1  0.098747  0.864091  0.379431  1
  Al  Al35  1  0.093243  0.065362  0.304001  1
  Al  Al36  1  0.119217  0.462190  0.339825  1
  Al  Al37  1  0.606456  0.870033  0.469476  1
  Al  Al38  1  0.600808  0.069369  0.394056  1
  Al  Al39  1  0.608763  0.470042  0.431710  1
  Al  Al40  1  0.135689  0.861539  0.434798  1
  Al  Al41  1  0.139187  0.261147  0.471944  1
  Al  Al42  1  0.143667  0.461981  0.397328  1
  Al  Al43  1  0.136764  0.943476  0.479606  1
  Al  Al44  1  0.137405  0.143548  0.405457  1
  Al  Al45  1  0.144732  0.543383  0.442008  1
  Al  Al46  1  0.635077  0.871735  0.413707  1
  Al  Al47  1  0.639661  0.271853  0.451308  1
  Al  Al48  1  0.646825  0.672605  0.487908  1
  Al  Al49  1  0.366634  0.961981  0.397328  1
  Al  Al50  1  0.374613  0.361539  0.434798  1
  Al  Al51  1  0.371114  0.761147  0.471944  1
  Al  Al52  1  0.864958  0.089905  0.441551  1
  Al  Al53  1  0.873545  0.490787  0.479015  1
  Al  Al54  1  0.871966  0.689261  0.405108  1
  Al  Al55  1  0.365570  0.043383  0.442008  1
  Al  Al56  1  0.373538  0.443476  0.479606  1
  Al  Al57  1  0.372897  0.643548  0.405457  1
  Al  Al58  1  0.863477  0.172605  0.487908  1
  Al  Al59  1  0.875225  0.371735  0.413707  1
  Al  Al60  1  0.870640  0.771853  0.451308  1
  Al  Al61  1  0.636757  0.990787  0.479015  1
  Al  Al62  1  0.638335  0.189261  0.405108  1
  Al  Al63  1  0.645344  0.589905  0.441551  1
  Al  Al64  1  0.901539  0.970042  0.431710  1
  Al  Al65  1  0.903846  0.370033  0.469476  1
  Al  Al66  1  0.909494  0.569369  0.394056  1
  Al  Al67  1  0.399822  0.163905  0.452590  1
  Al  Al68  1  0.407575  0.564061  0.489256  1
  Al  Al69  1  0.402355  0.763234  0.416302  1
  Al  Al70  1  0.102727  0.064061  0.489256  1
  Al  Al71  1  0.107946  0.263234  0.416302  1
  Al  Al72  1  0.110480  0.663905  0.452590  1
  Al  Al73  1  0.607946  0.070776  0.579967  1
  Al  Al74  1  0.602727  0.269949  0.507013  1
  Al  Al75  1  0.610480  0.670105  0.543679  1
  Al  Al76  1  0.139661  0.062157  0.544961  1
  Al  Al77  1  0.135077  0.462276  0.582562  1
  Al  Al78  1  0.146825  0.661405  0.508361  1
  Al  Al79  1  0.138335  0.144750  0.591161  1
  Al  Al80  1  0.136757  0.343223  0.517254  1
  Al  Al81  1  0.145344  0.744105  0.554718  1
  Al  Al82  1  0.639187  0.072863  0.524325  1
  Al  Al83  1  0.635689  0.472471  0.561471  1
  Al  Al84  1  0.643667  0.872029  0.598941  1
  Al  Al85  1  0.363477  0.161405  0.508361  1
  Al  Al86  1  0.370640  0.562157  0.544961  1
  Al  Al87  1  0.375225  0.962276  0.582562  1
  Al  Al88  1  0.865570  0.290627  0.554261  1
  Al  Al89  1  0.872897  0.690462  0.590812  1
  Al  Al90  1  0.873538  0.890535  0.516663  1
  Al  Al91  1  0.364958  0.244105  0.554718  1
  Al  Al92  1  0.371966  0.644750  0.591161  1
  Al  Al93  1  0.373545  0.843223  0.517254  1
  Al  Al94  1  0.866634  0.372029  0.598941  1
  Al  Al95  1  0.871114  0.572863  0.524325  1
  Al  Al96  1  0.874613  0.972471  0.561471  1
  Al  Al97  1  0.637405  0.190462  0.590812  1
  Al  Al98  1  0.636764  0.390535  0.516663  1
  Al  Al99  1  0.644732  0.790627  0.554261  1
  Al  Al100  1  0.899822  0.170105  0.543679  1
  Al  Al101  1  0.902355  0.570776  0.579967  1
  Al  Al102  1  0.907575  0.769949  0.507013  1
  Al  Al103  1  0.401539  0.363969  0.564559  1
  Al  Al104  1  0.409494  0.764641  0.602213  1
  Al  Al105  1  0.403846  0.963977  0.526793  1
  Al  Al106  1  0.100808  0.264641  0.602213  1
  Al  Al107  1  0.106456  0.463977  0.526793  1
  Al  Al108  1  0.108763  0.863969  0.564559  1
  Al  Al109  1  0.593243  0.268648  0.692268  1
  Al  Al110  1  0.598747  0.469920  0.616838  1
  Al  Al111  1  0.619217  0.871821  0.656444  1
  Al  Al112  1  0.127729  0.260571  0.658669  1
  Al  Al113  1  0.144707  0.658571  0.693370  1
  Al  Al114  1  0.144756  0.861582  0.620640  1
  Al  Al115  1  0.102645  0.335295  0.702294  1
  Al  Al116  1  0.138121  0.542773  0.627179  1
  Al  Al117  1  0.137730  0.942057  0.663425  1
  Al  Al118  1  0.631005  0.271931  0.637446  1
  Al  Al119  1  0.645882  0.668962  0.672790  1
  Al  Al120  1  0.630137  0.065466  0.707616  1
  Al  Al121  1  0.365546  0.361582  0.620640  1
  Al  Al122  1  0.382572  0.760571  0.658669  1
  Al  Al123  1  0.365595  0.158571  0.693370  1
  Al  Al124  1  0.865568  0.490870  0.663752  1
  Al  Al125  1  0.905074  0.886232  0.703543  1
  Al  Al126  1  0.874065  0.090478  0.627361  1
  Al  Al127  1  0.372572  0.442057  0.663425  1
  Al  Al128  1  0.407656  0.835295  0.702294  1
  Al  Al129  1  0.372181  0.042773  0.627179  1
  Al  Al130  1  0.880165  0.565466  0.707616  1
  Al  Al131  1  0.879297  0.771931  0.637446  1
  Al  Al132  1  0.864420  0.168962  0.672790  1
  Al  Al133  1  0.605227  0.386232  0.703543  1
  Al  Al134  1  0.636236  0.590478  0.627361  1
  Al  Al135  1  0.644734  0.990870  0.663752  1
  Al  Al136  1  0.891085  0.371821  0.656444  1
  Al  Al137  1  0.917058  0.768648  0.692268  1
  Al  Al138  1  0.911555  0.969920  0.616838  1
  Al  Al139  1  0.400363  0.561151  0.675024  1
  Al  Al140  1  0.423739  0.953054  0.707769  1
  Al  Al141  1  0.395506  0.164598  0.638483  1
  Al  Al142  1  0.086563  0.453054  0.707769  1
  Al  Al143  1  0.114796  0.664598  0.638483  1
  Al  Al144  1  0.109939  0.061151  0.675024  1
  Ni  Ni145  1  0.074046  0.847970  0.294321  1
  Ni  Ni146  1  0.084145  0.244081  0.332480  1
  Ni  Ni147  1  0.096983  0.642952  0.367473  1
  Ni  Ni148  1  0.426157  0.744081  0.332480  1
  Ni  Ni149  1  0.413319  0.142952  0.367473  1
  Ni  Ni150  1  0.436256  0.347970  0.294321  1
  Ni  Ni151  1  0.938919  0.598491  0.292758  1
  Ni  Ni152  1  0.905296  0.991466  0.331076  1
  Ni  Ni153  1  0.932050  0.391564  0.369259  1
  Ni  Ni154  1  0.578251  0.891564  0.369259  1
  Ni  Ni155  1  0.571382  0.098491  0.292758  1
  Ni  Ni156  1  0.605006  0.491466  0.331076  1
  Ni  Ni157  1  0.084534  0.043515  0.403784  1
  Ni  Ni158  1  0.091248  0.442967  0.442019  1
  Ni  Ni159  1  0.090455  0.843060  0.479506  1
  Ni  Ni160  1  0.419054  0.942967  0.442019  1
  Ni  Ni161  1  0.419847  0.343060  0.479506  1
  Ni  Ni162  1  0.425768  0.543515  0.403784  1
  Ni  Ni163  1  0.919001  0.789664  0.406659  1
  Ni  Ni164  1  0.916117  0.190030  0.443164  1
  Ni  Ni165  1  0.924185  0.590880  0.479539  1
  Ni  Ni166  1  0.586116  0.090880  0.479539  1
  Ni  Ni167  1  0.591300  0.289664  0.406659  1
  Ni  Ni168  1  0.594185  0.690030  0.443164  1
  Ni  Ni169  1  0.086116  0.243130  0.516730  1
  Ni  Ni170  1  0.094185  0.643980  0.553105  1
  Ni  Ni171  1  0.091300  0.044346  0.589610  1
  Ni  Ni172  1  0.416117  0.143980  0.553105  1
  Ni  Ni173  1  0.419001  0.544346  0.589610  1
  Ni  Ni174  1  0.424185  0.743130  0.516730  1
  Ni  Ni175  1  0.919847  0.990951  0.516763  1
  Ni  Ni176  1  0.919054  0.391043  0.554250  1
  Ni  Ni177  1  0.925768  0.790495  0.592485  1
  Ni  Ni178  1  0.584534  0.290495  0.592485  1
  Ni  Ni179  1  0.590455  0.490951  0.516763  1
  Ni  Ni180  1  0.591248  0.891043  0.554250  1
  Ni  Ni181  1  0.078251  0.442446  0.627010  1
  Ni  Ni182  1  0.105006  0.842544  0.665193  1
  Ni  Ni183  1  0.071382  0.235520  0.703511  1
  Ni  Ni184  1  0.405296  0.342544  0.665193  1
  Ni  Ni185  1  0.438919  0.735520  0.703511  1
  Ni  Ni186  1  0.432050  0.942446  0.627010  1
  Ni  Ni187  1  0.913319  0.191059  0.628796  1
  Ni  Ni188  1  0.926157  0.589929  0.663789  1
  Ni  Ni189  1  0.936256  0.986040  0.701948  1
  Ni  Ni190  1  0.574046  0.486040  0.701948  1
  Ni  Ni191  1  0.596983  0.691059  0.628796  1
  Ni  Ni192  1  0.584145  0.089929  0.663789  1
