# generated using pymatgen
data_AlNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.97438511
_cell_length_b   12.69462511
_cell_length_c   47.52867720
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   113.09346927
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlNi3
_chemical_formula_sum   'Al54 Ni162'
_cell_volume   5535.8766647
_cell_formula_units_Z   54
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  0.616201  0.229911  0.317473  1
  Al  Al2  1  0.114746  0.226661  0.316843  1
  Al  Al3  1  0.050622  0.597159  0.302119  1
  Al  Al4  1  0.182184  0.865982  0.333669  1
  Al  Al5  1  0.549137  0.595889  0.302009  1
  Al  Al6  1  0.984149  0.963182  0.287256  1
  Al  Al7  1  0.321720  0.139015  0.364050  1
  Al  Al8  1  0.820514  0.139931  0.364331  1
  Al  Al9  1  0.752652  0.502633  0.348290  1
  Al  Al10  1  0.888830  0.775226  0.380372  1
  Al  Al11  1  0.252745  0.503025  0.348204  1
  Al  Al12  1  0.686135  0.866022  0.333463  1
  Al  Al13  1  0.025272  0.048284  0.412225  1
  Al  Al14  1  0.524997  0.047953  0.411825  1
  Al  Al15  1  0.456600  0.411254  0.395830  1
  Al  Al16  1  0.593037  0.683910  0.427835  1
  Al  Al17  1  0.956809  0.410942  0.395779  1
  Al  Al18  1  0.389011  0.775665  0.380422  1
  Al  Al19  1  0.729403  0.956684  0.459619  1
  Al  Al20  1  0.229406  0.956757  0.459618  1
  Al  Al21  1  0.161223  0.320245  0.443535  1
  Al  Al22  1  0.297370  0.592780  0.475389  1
  Al  Al23  1  0.661178  0.320309  0.443589  1
  Al  Al24  1  0.093118  0.683955  0.427860  1
  Al  Al25  1  0.433513  0.865331  0.507181  1
  Al  Al26  1  0.933598  0.865261  0.507251  1
  Al  Al27  1  0.865439  0.229142  0.491241  1
  Al  Al28  1  1.001767  0.501697  0.523057  1
  Al  Al29  1  0.365566  0.229080  0.491280  1
  Al  Al30  1  0.797326  0.592701  0.475420  1
  Al  Al31  1  0.137823  0.774111  0.554887  1
  Al  Al32  1  0.637929  0.774150  0.554942  1
  Al  Al33  1  0.569715  0.137692  0.538833  1
  Al  Al34  1  0.706011  0.410484  0.570658  1
  Al  Al35  1  0.069701  0.137681  0.538884  1
  Al  Al36  1  0.501648  0.501637  0.523088  1
  Al  Al37  1  0.842078  0.683139  0.602659  1
  Al  Al38  1  0.342612  0.683481  0.602686  1
  Al  Al39  1  0.273871  0.046456  0.586646  1
  Al  Al40  1  0.410015  0.318742  0.618054  1
  Al  Al41  1  0.773769  0.046120  0.586256  1
  Al  Al42  1  0.206060  0.410466  0.570601  1
  Al  Al43  1  0.546215  0.591387  0.650272  1
  Al  Al44  1  0.046512  0.591770  0.650188  1
  Al  Al45  1  0.979301  0.955408  0.634438  1
  Al  Al46  1  0.112638  0.228431  0.664798  1
  Al  Al47  1  0.477157  0.954465  0.634136  1
  Al  Al48  1  0.910247  0.319181  0.618105  1
  Al  Al49  1  0.249703  0.497206  0.696353  1
  Al  Al50  1  0.749537  0.498544  0.696473  1
  Al  Al51  1  0.684409  0.867748  0.681636  1
  Al  Al52  1  0.817247  0.131193  0.711223  1
  Al  Al53  1  0.182621  0.864500  0.681002  1
  Al  Al54  1  0.616533  0.228385  0.665018  1
  Ni  Ni55  1  0.366264  0.228483  0.315485  1
  Ni  Ni56  1  0.865008  0.228061  0.315130  1
  Ni  Ni57  1  0.799701  0.595297  0.299972  1
  Ni  Ni58  1  0.933821  0.865797  0.333276  1
  Ni  Ni59  1  0.298799  0.596506  0.300014  1
  Ni  Ni60  1  0.730921  0.961675  0.285632  1
  Ni  Ni61  1  0.398393  0.043630  0.322432  1
  Ni  Ni62  1  0.899275  0.048929  0.325478  1
  Ni  Ni63  1  0.832586  0.412255  0.307777  1
  Ni  Ni64  1  0.269085  0.785415  0.293391  1
  Ni  Ni65  1  0.331313  0.411518  0.307691  1
  Ni  Ni66  1  0.764814  0.778004  0.292486  1
  Ni  Ni67  1  0.152682  0.047601  0.324975  1
  Ni  Ni68  1  0.648840  0.047585  0.324317  1
  Ni  Ni69  1  0.582769  0.412130  0.307793  1
  Ni  Ni70  1  0.017833  0.780006  0.292869  1
  Ni  Ni71  1  0.082786  0.411550  0.307670  1
  Ni  Ni72  1  0.516389  0.779828  0.292889  1
  Ni  Ni73  1  0.071369  0.139129  0.364685  1
  Ni  Ni74  1  0.569240  0.138330  0.364114  1
  Ni  Ni75  1  0.501843  0.502000  0.348363  1
  Ni  Ni76  1  0.638944  0.775201  0.380431  1
  Ni  Ni77  1  0.002778  0.501999  0.348366  1
  Ni  Ni78  1  0.435772  0.866566  0.332966  1
  Ni  Ni79  1  0.104621  0.957744  0.372785  1
  Ni  Ni80  1  0.605567  0.957821  0.372331  1
  Ni  Ni81  1  0.536243  0.321221  0.356130  1
  Ni  Ni82  1  0.967737  0.684305  0.340809  1
  Ni  Ni83  1  0.036203  0.320148  0.355772  1
  Ni  Ni84  1  0.468410  0.685234  0.340709  1
  Ni  Ni85  1  0.855186  0.957828  0.372711  1
  Ni  Ni86  1  0.354958  0.957873  0.372089  1
  Ni  Ni87  1  0.286618  0.320294  0.355846  1
  Ni  Ni88  1  0.719159  0.684580  0.340629  1
  Ni  Ni89  1  0.787258  0.320899  0.356038  1
  Ni  Ni90  1  0.219803  0.685440  0.340823  1
  Ni  Ni91  1  0.775111  0.048228  0.412042  1
  Ni  Ni92  1  0.275435  0.048183  0.411956  1
  Ni  Ni93  1  0.206742  0.411137  0.395670  1
  Ni  Ni94  1  0.343105  0.684082  0.427822  1
  Ni  Ni95  1  0.706835  0.411309  0.395859  1
  Ni  Ni96  1  0.138694  0.775257  0.380501  1
  Ni  Ni97  1  0.809230  0.866062  0.420062  1
  Ni  Ni98  1  0.309268  0.866358  0.419919  1
  Ni  Ni99  1  0.241521  0.229837  0.403861  1
  Ni  Ni100  1  0.672718  0.593024  0.388060  1
  Ni  Ni101  1  0.740575  0.229659  0.403841  1
  Ni  Ni102  1  0.172854  0.593192  0.388102  1
  Ni  Ni103  1  0.559307  0.866215  0.419963  1
  Ni  Ni104  1  0.059086  0.866070  0.420105  1
  Ni  Ni105  1  0.990965  0.229899  0.403898  1
  Ni  Ni106  1  0.422674  0.593280  0.388073  1
  Ni  Ni107  1  0.491041  0.229764  0.403852  1
  Ni  Ni108  1  0.922723  0.592884  0.388121  1
  Ni  Ni109  1  0.479361  0.956705  0.459549  1
  Ni  Ni110  1  0.979361  0.956655  0.459704  1
  Ni  Ni111  1  0.911063  0.320271  0.443575  1
  Ni  Ni112  1  0.047419  0.592726  0.475397  1
  Ni  Ni113  1  0.411302  0.320320  0.443598  1
  Ni  Ni114  1  0.843058  0.683883  0.427816  1
  Ni  Ni115  1  0.513373  0.774719  0.467527  1
  Ni  Ni116  1  0.013279  0.774601  0.467569  1
  Ni  Ni117  1  0.945294  0.138677  0.451663  1
  Ni  Ni118  1  0.376927  0.501921  0.435614  1
  Ni  Ni119  1  0.445411  0.138558  0.451569  1
  Ni  Ni120  1  0.877095  0.501903  0.435649  1
  Ni  Ni121  1  0.263368  0.774791  0.467512  1
  Ni  Ni122  1  0.763328  0.774575  0.467558  1
  Ni  Ni123  1  0.695164  0.138562  0.451571  1
  Ni  Ni124  1  0.127048  0.501843  0.435595  1
  Ni  Ni125  1  0.195508  0.138651  0.451647  1
  Ni  Ni126  1  0.627031  0.501972  0.435654  1
  Ni  Ni127  1  0.183530  0.865311  0.507218  1
  Ni  Ni128  1  0.683588  0.865251  0.507205  1
  Ni  Ni129  1  0.615513  0.229123  0.491255  1
  Ni  Ni130  1  0.751659  0.501671  0.523087  1
  Ni  Ni131  1  0.115530  0.229130  0.491276  1
  Ni  Ni132  1  0.547271  0.592717  0.475419  1
  Ni  Ni133  1  0.217656  0.683503  0.515138  1
  Ni  Ni134  1  0.717579  0.683435  0.515186  1
  Ni  Ni135  1  0.649492  0.047164  0.499184  1
  Ni  Ni136  1  0.081467  0.410930  0.483282  1
  Ni  Ni137  1  0.149590  0.047241  0.499288  1
  Ni  Ni138  1  0.581428  0.410954  0.483337  1
  Ni  Ni139  1  0.967608  0.683403  0.515163  1
  Ni  Ni140  1  0.467665  0.683529  0.515173  1
  Ni  Ni141  1  0.399538  0.047207  0.499227  1
  Ni  Ni142  1  0.831451  0.410982  0.483322  1
  Ni  Ni143  1  0.899547  0.047202  0.499255  1
  Ni  Ni144  1  0.331400  0.410896  0.483308  1
  Ni  Ni145  1  0.887912  0.774053  0.554901  1
  Ni  Ni146  1  0.387765  0.774171  0.554880  1
  Ni  Ni147  1  0.319747  0.137705  0.538917  1
  Ni  Ni148  1  0.455912  0.410328  0.570654  1
  Ni  Ni149  1  0.819663  0.137749  0.538782  1
  Ni  Ni150  1  0.251790  0.501701  0.523051  1
  Ni  Ni151  1  0.921985  0.592416  0.562837  1
  Ni  Ni152  1  0.422125  0.592584  0.562869  1
  Ni  Ni153  1  0.353608  0.955853  0.546877  1
  Ni  Ni154  1  0.785775  0.319816  0.530930  1
  Ni  Ni155  1  0.853822  0.955748  0.546859  1
  Ni  Ni156  1  0.285687  0.319633  0.530953  1
  Ni  Ni157  1  0.671912  0.592464  0.562876  1
  Ni  Ni158  1  0.172133  0.592528  0.562815  1
  Ni  Ni159  1  0.103849  0.955855  0.546926  1
  Ni  Ni160  1  0.535735  0.319686  0.530956  1
  Ni  Ni161  1  0.603592  0.955724  0.546795  1
  Ni  Ni162  1  0.035729  0.319807  0.530901  1
  Ni  Ni163  1  0.592345  0.683269  0.602807  1
  Ni  Ni164  1  0.092274  0.683102  0.602618  1
  Ni  Ni165  1  0.024067  0.046231  0.586536  1
  Ni  Ni166  1  0.160104  0.319163  0.617966  1
  Ni  Ni167  1  0.523682  0.046171  0.586420  1
  Ni  Ni168  1  0.956066  0.410522  0.570661  1
  Ni  Ni169  1  0.626089  0.501122  0.610410  1
  Ni  Ni170  1  0.126553  0.501532  0.610347  1
  Ni  Ni171  1  0.058045  0.864642  0.594635  1
  Ni  Ni172  1  0.489945  0.228182  0.578512  1
  Ni  Ni173  1  0.557841  0.864508  0.594569  1
  Ni  Ni174  1  0.989849  0.228344  0.578374  1
  Ni  Ni175  1  0.376364  0.501224  0.610367  1
  Ni  Ni176  1  0.876401  0.501374  0.610427  1
  Ni  Ni177  1  0.808456  0.864566  0.594631  1
  Ni  Ni178  1  0.239782  0.228058  0.578554  1
  Ni  Ni179  1  0.307690  0.864756  0.594622  1
  Ni  Ni180  1  0.739988  0.228337  0.578417  1
  Ni  Ni181  1  0.297270  0.592403  0.650105  1
  Ni  Ni182  1  0.796340  0.592411  0.650121  1
  Ni  Ni183  1  0.728809  0.955278  0.633795  1
  Ni  Ni184  1  0.864433  0.228603  0.665201  1
  Ni  Ni185  1  0.227502  0.956078  0.634359  1
  Ni  Ni186  1  0.660392  0.319195  0.618053  1
  Ni  Ni187  1  0.330822  0.408967  0.657649  1
  Ni  Ni188  1  0.831020  0.409825  0.657855  1
  Ni  Ni189  1  0.762868  0.774123  0.642639  1
  Ni  Ni190  1  0.193737  0.136553  0.626387  1
  Ni  Ni191  1  0.262902  0.773516  0.642434  1
  Ni  Ni192  1  0.693958  0.136573  0.625765  1
  Ni  Ni193  1  0.079870  0.410092  0.657661  1
  Ni  Ni194  1  0.579634  0.409181  0.657770  1
  Ni  Ni195  1  0.512591  0.774250  0.642700  1
  Ni  Ni196  1  0.943485  0.136668  0.625693  1
  Ni  Ni197  1  0.011557  0.773182  0.642351  1
  Ni  Ni198  1  0.444370  0.136568  0.626144  1
  Ni  Ni199  1  1.000691  0.499081  0.698507  1
  Ni  Ni200  1  0.498572  0.497921  0.698460  1
  Ni  Ni201  1  0.433283  0.866336  0.683339  1
  Ni  Ni202  1  0.565582  0.132749  0.712844  1
  Ni  Ni203  1  0.934127  0.865930  0.683001  1
  Ni  Ni204  1  0.365669  0.227841  0.665512  1
  Ni  Ni205  1  0.034127  0.314304  0.705606  1
  Ni  Ni206  1  0.532940  0.314650  0.705591  1
  Ni  Ni207  1  0.467512  0.682839  0.690804  1
  Ni  Ni208  1  0.901467  0.046806  0.673506  1
  Ni  Ni209  1  0.966947  0.682270  0.690691  1
  Ni  Ni210  1  0.397644  0.046802  0.674162  1
  Ni  Ni211  1  0.783134  0.316404  0.705994  1
  Ni  Ni212  1  0.280033  0.308981  0.705079  1
  Ni  Ni213  1  0.216629  0.682144  0.690694  1
  Ni  Ni214  1  0.646724  0.045480  0.672994  1
  Ni  Ni215  1  0.716099  0.682913  0.690788  1
  Ni  Ni216  1  0.151176  0.050800  0.676045  1
