# generated using pymatgen
data_Al3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.62192645
_cell_length_b   15.52126014
_cell_length_c   48.60494330
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   83.59973050
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni
_chemical_formula_sum   'Al240 Ni80'
_cell_volume   10212.4676364
_cell_formula_units_Z   80
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  0.116237  0.332137  0.320145  1
  Al  Al2  1  0.616237  0.832137  0.320145  1
  Al  Al3  1  0.670518  0.354240  0.275538  1
  Al  Al4  1  0.170518  0.854240  0.275538  1
  Al  Al5  1  0.243506  0.454242  0.285554  1
  Al  Al6  1  0.743506  0.954242  0.285554  1
  Al  Al7  1  0.679322  0.397127  0.332064  1
  Al  Al8  1  0.179322  0.897127  0.332064  1
  Al  Al9  1  0.141891  0.182563  0.359609  1
  Al  Al10  1  0.641891  0.682563  0.359609  1
  Al  Al11  1  0.698827  0.218190  0.312641  1
  Al  Al12  1  0.198827  0.718190  0.312641  1
  Al  Al13  1  0.237995  0.449095  0.342312  1
  Al  Al14  1  0.737995  0.949095  0.342312  1
  Al  Al15  1  0.789432  0.478696  0.294168  1
  Al  Al16  1  0.289432  0.978696  0.294168  1
  Al  Al17  1  0.484481  0.455759  0.284712  1
  Al  Al18  1  0.984481  0.955759  0.284712  1
  Al  Al19  1  0.922300  0.405224  0.331337  1
  Al  Al20  1  0.422300  0.905224  0.331337  1
  Al  Al21  1  0.592048  0.736269  0.271922  1
  Al  Al22  1  0.092048  0.236269  0.271922  1
  Al  Al23  1  0.011131  0.670930  0.310414  1
  Al  Al24  1  0.511131  0.170930  0.310414  1
  Al  Al25  1  0.389371  0.179476  0.356943  1
  Al  Al26  1  0.889371  0.679476  0.356943  1
  Al  Al27  1  0.962791  0.224402  0.314980  1
  Al  Al28  1  0.462791  0.724402  0.314980  1
  Al  Al29  1  0.481752  0.445137  0.341710  1
  Al  Al30  1  0.981752  0.945137  0.341710  1
  Al  Al31  1  0.031917  0.492102  0.293832  1
  Al  Al32  1  0.531917  0.992102  0.293832  1
  Al  Al33  1  0.343976  0.708475  0.270473  1
  Al  Al34  1  0.843976  0.208475  0.270473  1
  Al  Al35  1  0.752838  0.678023  0.313121  1
  Al  Al36  1  0.252838  0.178023  0.313121  1
  Al  Al37  1  0.371239  0.321753  0.314693  1
  Al  Al38  1  0.871239  0.821753  0.314693  1
  Al  Al39  1  0.816757  0.273183  0.357819  1
  Al  Al40  1  0.316757  0.773183  0.357819  1
  Al  Al41  1  0.601846  0.565908  0.316893  1
  Al  Al42  1  0.101846  0.065908  0.316893  1
  Al  Al43  1  0.037871  0.532062  0.354209  1
  Al  Al44  1  0.537871  0.032062  0.354209  1
  Al  Al45  1  0.350385  0.576428  0.315148  1
  Al  Al46  1  0.850385  0.076428  0.315148  1
  Al  Al47  1  0.870071  0.616931  0.271504  1
  Al  Al48  1  0.370071  0.116931  0.271504  1
  Al  Al49  1  1.004500  0.231807  0.408042  1
  Al  Al50  1  0.504500  0.731807  0.408042  1
  Al  Al51  1  0.561066  0.271321  0.360713  1
  Al  Al52  1  0.061066  0.771321  0.360713  1
  Al  Al53  1  0.120204  0.363815  0.376991  1
  Al  Al54  1  0.620204  0.863815  0.376991  1
  Al  Al55  1  0.563609  0.313437  0.421367  1
  Al  Al56  1  0.063609  0.813437  0.421367  1
  Al  Al57  1  0.030021  0.091593  0.449544  1
  Al  Al58  1  0.530021  0.591593  0.449544  1
  Al  Al59  1  0.585126  0.134787  0.403263  1
  Al  Al60  1  0.085126  0.634787  0.403263  1
  Al  Al61  1  0.120613  0.359014  0.433270  1
  Al  Al62  1  0.620613  0.859014  0.433270  1
  Al  Al63  1  0.681803  0.399641  0.387985  1
  Al  Al64  1  0.181803  0.899641  0.387985  1
  Al  Al65  1  0.371253  0.358528  0.376864  1
  Al  Al66  1  0.871253  0.858528  0.376864  1
  Al  Al67  1  0.812655  0.312178  0.422969  1
  Al  Al68  1  0.312655  0.812178  0.422969  1
  Al  Al69  1  0.461064  0.625154  0.361125  1
  Al  Al70  1  0.961064  0.125154  0.361125  1
  Al  Al71  1  0.898192  0.581248  0.404626  1
  Al  Al72  1  0.398192  0.081248  0.404626  1
  Al  Al73  1  0.278758  0.091457  0.450779  1
  Al  Al74  1  0.778758  0.591457  0.450779  1
  Al  Al75  1  0.834828  0.135361  0.404951  1
  Al  Al76  1  0.334828  0.635361  0.404951  1
  Al  Al77  1  0.367784  0.356806  0.433481  1
  Al  Al78  1  0.867784  0.856806  0.433481  1
  Al  Al79  1  0.920953  0.403373  0.387686  1
  Al  Al80  1  0.420953  0.903373  0.387686  1
  Al  Al81  1  0.212576  0.622472  0.359676  1
  Al  Al82  1  0.712576  0.122472  0.359676  1
  Al  Al83  1  0.658171  0.581154  0.405907  1
  Al  Al84  1  0.158171  0.081154  0.405907  1
  Al  Al85  1  0.257607  0.236279  0.403972  1
  Al  Al86  1  0.757607  0.736279  0.403972  1
  Al  Al87  1  0.700120  0.188562  0.449389  1
  Al  Al88  1  0.200120  0.688562  0.449389  1
  Al  Al89  1  0.487238  0.484951  0.402549  1
  Al  Al90  1  0.987238  0.984951  0.402549  1
  Al  Al91  1  0.929380  0.441769  0.447763  1
  Al  Al92  1  0.429380  0.941769  0.447763  1
  Al  Al93  1  0.231212  0.483087  0.405643  1
  Al  Al94  1  0.731212  0.983087  0.405643  1
  Al  Al95  1  0.782678  0.528924  0.357966  1
  Al  Al96  1  0.282678  0.028924  0.357966  1
  Al  Al97  1  0.888139  0.141631  0.499151  1
  Al  Al98  1  0.388139  0.641631  0.499151  1
  Al  Al99  1  0.447351  0.185760  0.452520  1
  Al  Al100  1  0.947351  0.685760  0.452520  1
  Al  Al101  1  1.006679  0.270424  0.467444  1
  Al  Al102  1  0.506679  0.770424  0.467444  1
  Al  Al103  1  0.449759  0.226711  0.512848  1
  Al  Al104  1  0.949759  0.726711  0.512848  1
  Al  Al105  1  0.914064  0.003373  0.540733  1
  Al  Al106  1  0.414064  0.503373  0.540733  1
  Al  Al107  1  0.472053  0.047425  0.494863  1
  Al  Al108  1  0.972053  0.547425  0.494863  1
  Al  Al109  1  1.004226  0.269425  0.524117  1
  Al  Al110  1  0.504226  0.769425  0.524117  1
  Al  Al111  1  0.563991  0.313534  0.478322  1
  Al  Al112  1  0.063991  0.813534  0.478322  1
  Al  Al113  1  0.255434  0.269430  0.468379  1
  Al  Al114  1  0.755434  0.769430  0.468379  1
  Al  Al115  1  0.695670  0.225321  0.514175  1
  Al  Al116  1  0.195670  0.725321  0.514175  1
  Al  Al117  1  0.345596  0.535482  0.451764  1
  Al  Al118  1  0.845596  0.035482  0.451764  1
  Al  Al119  1  0.787607  0.491430  0.497634  1
  Al  Al120  1  0.287607  0.991430  0.497634  1
  Al  Al121  1  0.161178  0.002547  0.541864  1
  Al  Al122  1  0.661178  0.502547  0.541864  1
  Al  Al123  1  0.719294  0.046914  0.496014  1
  Al  Al124  1  0.219294  0.546914  0.496014  1
  Al  Al125  1  0.252982  0.268431  0.525052  1
  Al  Al126  1  0.752982  0.768431  0.525052  1
  Al  Al127  1  0.809902  0.312144  0.479648  1
  Al  Al128  1  0.309902  0.812144  0.479648  1
  Al  Al129  1  0.098483  0.536307  0.450633  1
  Al  Al130  1  0.598483  0.036307  0.450633  1
  Al  Al131  1  0.540367  0.491941  0.496483  1
  Al  Al132  1  0.040367  0.991941  0.496483  1
  Al  Al133  1  0.142974  0.145331  0.495511  1
  Al  Al134  1  0.642974  0.645331  0.495511  1
  Al  Al135  1  0.585468  0.101079  0.540688  1
  Al  Al136  1  0.085468  0.601079  0.540688  1
  Al  Al137  1  0.371521  0.397224  0.493345  1
  Al  Al138  1  0.871521  0.897224  0.493345  1
  Al  Al139  1  0.812309  0.353095  0.539976  1
  Al  Al140  1  0.312309  0.853095  0.539976  1
  Al  Al141  1  0.116686  0.393523  0.496985  1
  Al  Al142  1  0.616686  0.893523  0.496985  1
  Al  Al143  1  0.674192  0.437775  0.451809  1
  Al  Al144  1  0.174192  0.937775  0.451809  1
  Al  Al145  1  0.772423  0.053904  0.589948  1
  Al  Al146  1  0.272423  0.553904  0.589948  1
  Al  Al147  1  0.330281  0.097086  0.544733  1
  Al  Al148  1  0.830281  0.597086  0.544733  1
  Al  Al149  1  0.891877  0.182048  0.559016  1
  Al  Al150  1  0.391877  0.682048  0.559016  1
  Al  Al151  1  0.338708  0.135482  0.604811  1
  Al  Al152  1  0.838708  0.635482  0.604811  1
  Al  Al153  1  0.798597  0.913701  0.631372  1
  Al  Al154  1  0.298597  0.413701  0.631372  1
  Al  Al155  1  0.361469  0.957606  0.587871  1
  Al  Al156  1  0.861469  0.457606  0.587871  1
  Al  Al157  1  0.888407  0.180326  0.615633  1
  Al  Al158  1  0.388407  0.680326  0.615633  1
  Al  Al159  1  0.447005  0.226677  0.569528  1
  Al  Al160  1  0.947005  0.726677  0.569528  1
  Al  Al161  1  0.139047  0.179841  0.559227  1
  Al  Al162  1  0.639047  0.679841  0.559227  1
  Al  Al163  1  0.577857  0.139213  0.604512  1
  Al  Al164  1  0.077857  0.639213  0.604512  1
  Al  Al165  1  0.229639  0.447261  0.542953  1
  Al  Al166  1  0.729639  0.947261  0.542953  1
  Al  Al167  1  0.674535  0.404068  0.589234  1
  Al  Al168  1  0.174535  0.904068  0.589234  1
  Al  Al169  1  0.047085  0.916383  0.632821  1
  Al  Al170  1  0.547085  0.416383  0.632821  1
  Al  Al171  1  0.601489  0.957700  0.586590  1
  Al  Al172  1  0.101489  0.457700  0.586590  1
  Al  Al173  1  0.139456  0.175040  0.615506  1
  Al  Al174  1  0.639456  0.675040  0.615506  1
  Al  Al175  1  0.696052  0.225417  0.571130  1
  Al  Al176  1  0.196052  0.725417  0.571130  1
  Al  Al177  1  0.980902  0.447397  0.541717  1
  Al  Al178  1  0.480902  0.947397  0.541717  1
  Al  Al179  1  0.424832  0.403493  0.587546  1
  Al  Al180  1  0.924832  0.903493  0.587546  1
  Al  Al181  1  0.028448  0.055767  0.586854  1
  Al  Al182  1  0.528448  0.555767  0.586854  1
  Al  Al183  1  0.476982  0.009930  0.634531  1
  Al  Al184  1  0.976982  0.509930  0.634531  1
  Al  Al185  1  0.255161  0.307047  0.584454  1
  Al  Al186  1  0.755161  0.807047  0.584454  1
  Al  Al187  1  0.698594  0.267534  0.631784  1
  Al  Al188  1  0.198594  0.767534  0.631784  1
  Al  Al189  1  1.002054  0.302576  0.588524  1
  Al  Al190  1  0.502054  0.802576  0.588524  1
  Al  Al191  1  0.559541  0.350292  0.543107  1
  Al  Al192  1  0.059541  0.850292  0.543107  1
  Al  Al193  1  0.657814  0.972947  0.675603  1
  Al  Al194  1  0.157814  0.472947  0.675603  1
  Al  Al195  1  0.221789  0.006793  0.638288  1
  Al  Al196  1  0.721789  0.506793  0.638288  1
  Al  Al197  1  0.777908  0.093718  0.650787  1
  Al  Al198  1  0.277908  0.593718  0.650787  1
  Al  Al199  1  0.227743  0.046753  0.698665  1
  Al  Al200  1  0.727743  0.546753  0.698665  1
  Al  Al201  1  0.667613  0.802585  0.720575  1
  Al  Al202  1  0.167613  0.302585  0.720575  1
  Al  Al203  1  0.248530  0.867925  0.682083  1
  Al  Al204  1  0.748530  0.367925  0.682083  1
  Al  Al205  1  0.775180  0.083095  0.707784  1
  Al  Al206  1  0.275180  0.583095  0.707784  1
  Al  Al207  1  0.337361  0.133630  0.661159  1
  Al  Al208  1  0.837361  0.633630  0.661159  1
  Al  Al209  1  0.021665  0.089759  0.650185  1
  Al  Al210  1  0.521665  0.589759  0.650185  1
  Al  Al211  1  0.470228  0.060159  0.698329  1
  Al  Al212  1  0.970228  0.560159  0.698329  1
  Al  Al213  1  0.117770  0.356292  0.632888  1
  Al  Al214  1  0.617770  0.856292  0.632888  1
  Al  Al215  1  0.560833  0.320665  0.679856  1
  Al  Al216  1  0.060833  0.820665  0.679856  1
  Al  Al217  1  0.915684  0.830380  0.722023  1
  Al  Al218  1  0.415684  0.330380  0.722023  1
  Al  Al219  1  0.506822  0.860832  0.679376  1
  Al  Al220  1  1.006822  0.360832  0.679376  1
  Al  Al221  1  0.016155  0.084612  0.706943  1
  Al  Al222  1  0.516155  0.584612  0.706943  1
  Al  Al223  1  0.580338  0.141728  0.660433  1
  Al  Al224  1  0.080338  0.641728  0.660433  1
  Al  Al225  1  0.870289  0.359379  0.635554  1
  Al  Al226  1  0.370289  0.859379  0.635554  1
  Al  Al227  1  0.296869  0.314453  0.677517  1
  Al  Al228  1  0.796869  0.814453  0.677517  1
  Al  Al229  1  0.909276  0.962427  0.677349  1
  Al  Al230  1  0.409276  0.462427  0.677349  1
  Al  Al231  1  0.389589  0.921924  0.720993  1
  Al  Al232  1  0.889589  0.421924  0.720993  1
  Al  Al233  1  0.143424  0.206717  0.672352  1
  Al  Al234  1  0.643424  0.706717  0.672352  1
  Al  Al235  1  0.589143  0.184614  0.716959  1
  Al  Al236  1  0.089143  0.684614  0.716959  1
  Al  Al237  1  0.888422  0.217102  0.677804  1
  Al  Al238  1  0.388422  0.717102  0.677804  1
  Al  Al239  1  0.442903  0.265672  0.634678  1
  Al  Al240  1  0.942903  0.765672  0.634678  1
  Ni  Ni241  1  0.549867  0.323666  0.311302  1
  Ni  Ni242  1  0.049867  0.823666  0.311302  1
  Ni  Ni243  1  0.994734  0.283077  0.358849  1
  Ni  Ni244  1  0.494734  0.783077  0.358849  1
  Ni  Ni245  1  0.253274  0.289231  0.350597  1
  Ni  Ni246  1  0.753274  0.789231  0.350597  1
  Ni  Ni247  1  0.814880  0.321425  0.306049  1
  Ni  Ni248  1  0.314880  0.821425  0.306049  1
  Ni  Ni249  1  0.159736  0.567613  0.315671  1
  Ni  Ni250  1  0.659736  0.067613  0.315671  1
  Ni  Ni251  1  0.682335  0.597304  0.275351  1
  Ni  Ni252  1  0.182335  0.097304  0.275351  1
  Ni  Ni253  1  0.496407  0.612328  0.280005  1
  Ni  Ni254  1  0.996407  0.112328  0.280005  1
  Ni  Ni255  1  0.895269  0.565483  0.320608  1
  Ni  Ni256  1  0.395269  0.065483  0.320608  1
  Ni  Ni257  1  0.437220  0.233348  0.402270  1
  Ni  Ni258  1  0.937220  0.733348  0.402270  1
  Ni  Ni259  1  0.880232  0.189010  0.449669  1
  Ni  Ni260  1  0.380232  0.689010  0.449669  1
  Ni  Ni261  1  0.141481  0.199107  0.440708  1
  Ni  Ni262  1  0.641481  0.699107  0.440708  1
  Ni  Ni263  1  0.697578  0.241364  0.394402  1
  Ni  Ni264  1  0.197578  0.741364  0.394402  1
  Ni  Ni265  1  0.048482  0.483253  0.406198  1
  Ni  Ni266  1  0.548482  0.983253  0.406198  1
  Ni  Ni267  1  0.604708  0.521493  0.363941  1
  Ni  Ni268  1  0.104708  0.021493  0.363941  1
  Ni  Ni269  1  0.351811  0.518150  0.369795  1
  Ni  Ni270  1  0.851811  0.018150  0.369795  1
  Ni  Ni271  1  0.791814  0.472498  0.416186  1
  Ni  Ni272  1  0.291814  0.972498  0.416186  1
  Ni  Ni273  1  0.322846  0.145695  0.495275  1
  Ni  Ni274  1  0.822846  0.645695  0.495275  1
  Ni  Ni275  1  0.765083  0.101942  0.540595  1
  Ni  Ni276  1  0.265083  0.601942  0.540595  1
  Ni  Ni277  1  0.024769  0.110082  0.531639  1
  Ni  Ni278  1  0.524769  0.610082  0.531639  1
  Ni  Ni279  1  0.582964  0.154426  0.485791  1
  Ni  Ni280  1  0.082964  0.654426  0.485791  1
  Ni  Ni281  1  0.936814  0.393159  0.497222  1
  Ni  Ni282  1  0.436814  0.893159  0.497222  1
  Ni  Ni283  1  0.494578  0.436913  0.451902  1
  Ni  Ni284  1  0.994578  0.936913  0.451902  1
  Ni  Ni285  1  0.234892  0.428772  0.460858  1
  Ni  Ni286  1  0.734892  0.928772  0.460858  1
  Ni  Ni287  1  0.676697  0.384428  0.506706  1
  Ni  Ni288  1  0.176697  0.884428  0.506706  1
  Ni  Ni289  1  0.211178  0.055601  0.586299  1
  Ni  Ni290  1  0.711178  0.555601  0.586299  1
  Ni  Ni291  1  0.654952  0.017362  0.628556  1
  Ni  Ni292  1  0.154952  0.517362  0.628556  1
  Ni  Ni293  1  0.907849  0.020705  0.622701  1
  Ni  Ni294  1  0.407849  0.520705  0.622701  1
  Ni  Ni295  1  0.467847  0.066356  0.576311  1
  Ni  Ni296  1  0.967847  0.566356  0.576311  1
  Ni  Ni297  1  0.822441  0.305507  0.590227  1
  Ni  Ni298  1  0.322441  0.805507  0.590227  1
  Ni  Ni299  1  0.379428  0.349844  0.542828  1
  Ni  Ni300  1  0.879428  0.849844  0.542828  1
  Ni  Ni301  1  0.118179  0.339747  0.551788  1
  Ni  Ni302  1  0.618179  0.839747  0.551788  1
  Ni  Ni303  1  0.562083  0.297491  0.598095  1
  Ni  Ni304  1  0.062083  0.797491  0.598095  1
  Ni  Ni305  1  0.099924  0.971242  0.676826  1
  Ni  Ni306  1  0.599924  0.471242  0.676826  1
  Ni  Ni307  1  0.577325  0.941550  0.717145  1
  Ni  Ni308  1  0.077325  0.441550  0.717145  1
  Ni  Ni309  1  0.763253  0.926526  0.712491  1
  Ni  Ni310  1  0.263253  0.426526  0.712491  1
  Ni  Ni311  1  0.364391  0.973372  0.671889  1
  Ni  Ni312  1  0.864391  0.473372  0.671889  1
  Ni  Ni313  1  0.709793  0.215188  0.681194  1
  Ni  Ni314  1  0.209793  0.715188  0.681194  1
  Ni  Ni315  1  0.264927  0.255778  0.633648  1
  Ni  Ni316  1  0.764927  0.755778  0.633648  1
  Ni  Ni317  1  1.006386  0.249623  0.641900  1
  Ni  Ni318  1  0.506386  0.749623  0.641900  1
  Ni  Ni319  1  0.444781  0.217430  0.686447  1
  Ni  Ni320  1  0.944781  0.717430  0.686447  1
