# generated using pymatgen
data_Al3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.43655713
_cell_length_b   23.17494377
_cell_length_c   52.17524602
_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   'Al180 Ni60'
_cell_volume   7782.81707765
_cell_formula_units_Z   60
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  0.011015  0.940956  0.316673  1
  Al  Al2  1  0.020231  0.256432  0.344006  1
  Al  Al3  1  0.022829  0.615393  0.287822  1
  Al  Al4  1  0.207510  0.018543  0.277655  1
  Al  Al5  1  0.203144  0.345452  0.301087  1
  Al  Al6  1  0.184137  0.660641  0.334236  1
  Al  Al7  1  0.180829  0.851898  0.350425  1
  Al  Al8  1  0.200509  0.217429  0.293433  1
  Al  Al9  1  0.183380  0.535676  0.323495  1
  Al  Al10  1  0.327611  0.035676  0.323495  1
  Al  Al11  1  0.330162  0.351898  0.350425  1
  Al  Al12  1  0.310482  0.717429  0.293433  1
  Al  Al13  1  0.681965  0.991728  0.340303  1
  Al  Al14  1  0.635693  0.354347  0.284385  1
  Al  Al15  1  0.687496  0.674966  0.309251  1
  Al  Al16  1  0.823495  0.174966  0.309251  1
  Al  Al17  1  0.829026  0.491728  0.340303  1
  Al  Al18  1  0.875298  0.854347  0.284385  1
  Al  Al19  1  0.672116  0.864283  0.329019  1
  Al  Al20  1  0.689923  0.183609  0.358206  1
  Al  Al21  1  0.687374  0.545249  0.297823  1
  Al  Al22  1  0.823617  0.045249  0.297823  1
  Al  Al23  1  0.838876  0.364283  0.329019  1
  Al  Al24  1  0.821068  0.683609  0.358206  1
  Al  Al25  1  0.326854  0.160641  0.334236  1
  Al  Al26  1  0.303481  0.518543  0.277655  1
  Al  Al27  1  0.307847  0.845452  0.301087  1
  Al  Al28  1  0.548683  0.948440  0.290647  1
  Al  Al29  1  0.536389  0.267622  0.319409  1
  Al  Al30  1  0.520054  0.588152  0.347008  1
  Al  Al31  1  0.990938  0.088152  0.347008  1
  Al  Al32  1  0.962309  0.448440  0.290647  1
  Al  Al33  1  0.974603  0.767622  0.319409  1
  Al  Al34  1  0.488162  0.115393  0.287822  1
  Al  Al35  1  0.499977  0.440956  0.316673  1
  Al  Al36  1  0.490761  0.756432  0.344006  1
  Al  Al37  1  0.019356  0.894330  0.405576  1
  Al  Al38  1  0.017875  0.213654  0.436046  1
  Al  Al39  1  0.022522  0.575963  0.375138  1
  Al  Al40  1  0.178796  0.980953  0.363993  1
  Al  Al41  1  0.184171  0.300758  0.393763  1
  Al  Al42  1  0.186055  0.619576  0.424355  1
  Al  Al43  1  0.184207  0.809884  0.442510  1
  Al  Al44  1  0.178885  0.171620  0.381622  1
  Al  Al45  1  0.184293  0.490997  0.412133  1
  Al  Al46  1  0.326699  0.990997  0.412133  1
  Al  Al47  1  0.326784  0.309884  0.442510  1
  Al  Al48  1  0.332106  0.671620  0.381622  1
  Al  Al49  1  0.684597  0.949290  0.432141  1
  Al  Al50  1  0.685189  0.310498  0.370406  1
  Al  Al51  1  0.688377  0.630500  0.401452  1
  Al  Al52  1  0.822614  0.130500  0.401452  1
  Al  Al53  1  0.826395  0.449290  0.432141  1
  Al  Al54  1  0.825802  0.810498  0.370406  1
  Al  Al55  1  0.686395  0.820875  0.419548  1
  Al  Al56  1  0.684386  0.139769  0.450323  1
  Al  Al57  1  0.690897  0.501779  0.389114  1
  Al  Al58  1  0.820094  1.001779  0.389114  1
  Al  Al59  1  0.824596  0.320875  0.419548  1
  Al  Al60  1  0.826605  0.639769  0.450323  1
  Al  Al61  1  0.324936  0.119576  0.424355  1
  Al  Al62  1  0.332195  0.480953  0.363993  1
  Al  Al63  1  0.326820  0.800758  0.393763  1
  Al  Al64  1  0.512759  0.907328  0.377362  1
  Al  Al65  1  0.517615  0.226493  0.407949  1
  Al  Al66  1  0.520198  0.545623  0.438698  1
  Al  Al67  1  0.990793  0.045623  0.438698  1
  Al  Al68  1  0.998233  0.407328  0.377362  1
  Al  Al69  1  0.993376  0.726493  0.407949  1
  Al  Al70  1  0.488470  0.075963  0.375138  1
  Al  Al71  1  0.491635  0.394330  0.405576  1
  Al  Al72  1  0.493116  0.713654  0.436046  1
  Al  Al73  1  0.018388  0.851552  0.497127  1
  Al  Al74  1  0.018591  0.170704  0.527637  1
  Al  Al75  1  0.018779  0.532604  0.466653  1
  Al  Al76  1  0.184600  0.938507  0.454892  1
  Al  Al77  1  0.185022  0.257525  0.485433  1
  Al  Al78  1  0.185244  0.576568  0.515937  1
  Al  Al79  1  0.184150  0.766966  0.534158  1
  Al  Al80  1  0.184065  0.128939  0.473073  1
  Al  Al81  1  0.184424  0.447881  0.503576  1
  Al  Al82  1  0.326567  0.947881  0.503576  1
  Al  Al83  1  0.326841  0.266966  0.534158  1
  Al  Al84  1  0.326926  0.628939  0.473073  1
  Al  Al85  1  0.684065  0.906271  0.523665  1
  Al  Al86  1  0.684150  0.268244  0.462580  1
  Al  Al87  1  0.684424  0.587329  0.493162  1
  Al  Al88  1  0.826567  0.087329  0.493162  1
  Al  Al89  1  0.826926  0.406271  0.523665  1
  Al  Al90  1  0.826841  0.768244  0.462580  1
  Al  Al91  1  0.685022  0.777685  0.511305  1
  Al  Al92  1  0.684600  0.096703  0.541846  1
  Al  Al93  1  0.685244  0.458641  0.480802  1
  Al  Al94  1  0.825747  0.958641  0.480802  1
  Al  Al95  1  0.825969  0.277685  0.511305  1
  Al  Al96  1  0.826391  0.596703  0.541846  1
  Al  Al97  1  0.325747  0.076568  0.515937  1
  Al  Al98  1  0.326391  0.438507  0.454892  1
  Al  Al99  1  0.325969  0.757525  0.485433  1
  Al  Al100  1  0.518591  0.864505  0.469101  1
  Al  Al101  1  0.518388  0.183658  0.499611  1
  Al  Al102  1  0.518779  0.502606  0.530085  1
  Al  Al103  1  0.992212  1.002606  0.530085  1
  Al  Al104  1  0.992400  0.364505  0.469101  1
  Al  Al105  1  0.992604  0.683658  0.499611  1
  Al  Al106  1  0.492212  0.032604  0.466653  1
  Al  Al107  1  0.492604  0.351552  0.497127  1
  Al  Al108  1  0.492400  0.670704  0.527637  1
  Al  Al109  1  0.017615  0.808717  0.588789  1
  Al  Al110  1  0.012759  0.127882  0.619376  1
  Al  Al111  1  0.020198  0.489586  0.558040  1
  Al  Al112  1  0.184386  0.895441  0.546415  1
  Al  Al113  1  0.186395  0.214335  0.577190  1
  Al  Al114  1  0.190897  0.533431  0.607624  1
  Al  Al115  1  0.185189  0.724712  0.626332  1
  Al  Al116  1  0.184597  0.085920  0.564597  1
  Al  Al117  1  0.188377  0.404710  0.595287  1
  Al  Al118  1  0.322614  0.904710  0.595287  1
  Al  Al119  1  0.325802  0.224712  0.626332  1
  Al  Al120  1  0.326395  0.585920  0.564597  1
  Al  Al121  1  0.678885  0.863590  0.615116  1
  Al  Al122  1  0.684207  0.225326  0.554228  1
  Al  Al123  1  0.684293  0.544213  0.584605  1
  Al  Al124  1  0.826699  0.044213  0.584605  1
  Al  Al125  1  0.832106  0.363590  0.615116  1
  Al  Al126  1  0.826784  0.725326  0.554228  1
  Al  Al127  1  0.684171  0.734452  0.602975  1
  Al  Al128  1  0.678796  0.054257  0.632746  1
  Al  Al129  1  0.686055  0.415634  0.572383  1
  Al  Al130  1  0.824936  0.915634  0.572383  1
  Al  Al131  1  0.826820  0.234452  0.602975  1
  Al  Al132  1  0.832195  0.554257  0.632746  1
  Al  Al133  1  0.320094  0.033431  0.607624  1
  Al  Al134  1  0.326605  0.395441  0.546415  1
  Al  Al135  1  0.324596  0.714335  0.577190  1
  Al  Al136  1  0.517875  0.821556  0.560693  1
  Al  Al137  1  0.519356  0.140880  0.591162  1
  Al  Al138  1  0.522522  0.459247  0.621600  1
  Al  Al139  1  0.988470  0.959247  0.621600  1
  Al  Al140  1  0.993116  0.321556  0.560693  1
  Al  Al141  1  0.991635  0.640880  0.591162  1
  Al  Al142  1  0.490793  0.989586  0.558040  1
  Al  Al143  1  0.493376  0.308717  0.588789  1
  Al  Al144  1  0.498233  0.627882  0.619376  1
  Al  Al145  1  0.036389  0.767588  0.677329  1
  Al  Al146  1  0.048683  0.086770  0.706091  1
  Al  Al147  1  0.020054  0.447057  0.649730  1
  Al  Al148  1  0.189923  0.851601  0.638532  1
  Al  Al149  1  0.172116  0.170927  0.667719  1
  Al  Al150  1  0.187374  0.489961  0.698915  1
  Al  Al151  1  0.135693  0.680863  0.712353  1
  Al  Al152  1  0.181965  0.043482  0.656435  1
  Al  Al153  1  0.187496  0.360244  0.687487  1
  Al  Al154  1  0.323495  0.860244  0.687487  1
  Al  Al155  1  0.375298  0.180863  0.712353  1
  Al  Al156  1  0.329026  0.543482  0.656435  1
  Al  Al157  1  0.700509  0.817781  0.703305  1
  Al  Al158  1  0.680829  0.183312  0.646313  1
  Al  Al159  1  0.683380  0.499534  0.673243  1
  Al  Al160  1  0.827611  0.999534  0.673243  1
  Al  Al161  1  0.810482  0.317781  0.703305  1
  Al  Al162  1  0.830162  0.683312  0.646313  1
  Al  Al163  1  0.703144  0.689758  0.695651  1
  Al  Al164  1  0.707510  0.016667  0.719084  1
  Al  Al165  1  0.684137  0.374569  0.662502  1
  Al  Al166  1  0.826854  0.874569  0.662502  1
  Al  Al167  1  0.807847  0.189758  0.695651  1
  Al  Al168  1  0.803481  0.516667  0.719084  1
  Al  Al169  1  0.323617  0.989961  0.698915  1
  Al  Al170  1  0.321068  0.351601  0.638532  1
  Al  Al171  1  0.338876  0.670927  0.667719  1
  Al  Al172  1  0.520231  0.778778  0.652732  1
  Al  Al173  1  0.511015  0.094254  0.680065  1
  Al  Al174  1  0.522829  0.419817  0.708916  1
  Al  Al175  1  0.988162  0.919817  0.708916  1
  Al  Al176  1  0.990761  0.278778  0.652732  1
  Al  Al177  1  0.999977  0.594254  0.680065  1
  Al  Al178  1  0.490938  0.947057  0.649730  1
  Al  Al179  1  0.474603  0.267588  0.677329  1
  Al  Al180  1  0.462309  0.586770  0.706091  1
  Ni  Ni181  1  0.898220  0.957175  0.272127  1
  Ni  Ni182  1  0.887224  0.280045  0.300015  1
  Ni  Ni183  1  0.877100  0.596604  0.331769  1
  Ni  Ni184  1  0.372758  0.930338  0.330697  1
  Ni  Ni185  1  0.380255  0.247873  0.361307  1
  Ni  Ni186  1  0.387437  0.610915  0.301004  1
  Ni  Ni187  1  0.123554  0.110915  0.301004  1
  Ni  Ni188  1  0.138234  0.430338  0.330697  1
  Ni  Ni189  1  0.130737  0.747873  0.361307  1
  Ni  Ni190  1  0.633891  0.096604  0.331769  1
  Ni  Ni191  1  0.612771  0.457175  0.272127  1
  Ni  Ni192  1  0.623768  0.780045  0.300015  1
  Ni  Ni193  1  0.877999  0.914582  0.361817  1
  Ni  Ni194  1  0.881799  0.234669  0.391783  1
  Ni  Ni195  1  0.883858  0.553506  0.422391  1
  Ni  Ni196  1  0.383455  0.886779  0.421940  1
  Ni  Ni197  1  0.382148  0.205868  0.452335  1
  Ni  Ni198  1  0.386896  0.567543  0.391601  1
  Ni  Ni199  1  0.124095  0.067543  0.391601  1
  Ni  Ni200  1  0.127536  0.386779  0.421940  1
  Ni  Ni201  1  0.128843  0.705868  0.452335  1
  Ni  Ni202  1  0.627134  0.053506  0.422391  1
  Ni  Ni203  1  0.632992  0.414582  0.361817  1
  Ni  Ni204  1  0.629192  0.734669  0.391783  1
  Ni  Ni205  1  0.882652  0.872306  0.452820  1
  Ni  Ni206  1  0.882645  0.191411  0.483331  1
  Ni  Ni207  1  0.882944  0.510396  0.513827  1
  Ni  Ni208  1  0.382645  0.843798  0.513407  1
  Ni  Ni209  1  0.382652  0.162904  0.543919  1
  Ni  Ni210  1  0.382944  0.524814  0.482911  1
  Ni  Ni211  1  0.128047  0.024814  0.482911  1
  Ni  Ni212  1  0.128346  0.343798  0.513407  1
  Ni  Ni213  1  0.128339  0.662904  0.543919  1
  Ni  Ni214  1  0.628047  0.010396  0.513827  1
  Ni  Ni215  1  0.628339  0.372306  0.452820  1
  Ni  Ni216  1  0.628346  0.691411  0.483331  1
  Ni  Ni217  1  0.882148  0.829342  0.544403  1
  Ni  Ni218  1  0.883455  0.148431  0.574798  1
  Ni  Ni219  1  0.886896  0.467667  0.605137  1
  Ni  Ni220  1  0.381799  0.800541  0.604955  1
  Ni  Ni221  1  0.377999  0.120628  0.634921  1
  Ni  Ni222  1  0.383858  0.481704  0.574347  1
  Ni  Ni223  1  0.127134  0.981704  0.574347  1
  Ni  Ni224  1  0.129192  0.300541  0.604955  1
  Ni  Ni225  1  0.132992  0.620628  0.634921  1
  Ni  Ni226  1  0.624095  0.967667  0.605137  1
  Ni  Ni227  1  0.628843  0.329342  0.544403  1
  Ni  Ni228  1  0.627536  0.648431  0.574798  1
  Ni  Ni229  1  0.880255  0.787337  0.635432  1
  Ni  Ni230  1  0.872758  0.104872  0.666041  1
  Ni  Ni231  1  0.887437  0.424295  0.695735  1
  Ni  Ni232  1  0.387224  0.755165  0.696723  1
  Ni  Ni233  1  0.398220  0.078035  0.724612  1
  Ni  Ni234  1  0.377100  0.438606  0.664970  1
  Ni  Ni235  1  0.133891  0.938606  0.664970  1
  Ni  Ni236  1  0.123768  0.255165  0.696723  1
  Ni  Ni237  1  0.112771  0.578035  0.724612  1
  Ni  Ni238  1  0.623554  0.924295  0.695735  1
  Ni  Ni239  1  0.630737  0.287337  0.635432  1
  Ni  Ni240  1  0.638234  0.604872  0.666041  1
