# generated using pymatgen
data_AlNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.13544358
_cell_length_b   11.13784263
_cell_length_c   48.06254390
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   84.26082952
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlNi3
_chemical_formula_sum   'Al63 Ni189'
_cell_volume   5931.06864365
_cell_formula_units_Z   63
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  0.063525  0.396818  0.321352  1
  Al  Al2  1  0.396859  0.063485  0.321352  1
  Al  Al3  1  0.459940  0.459839  0.277868  1
  Al  Al4  1  0.730192  0.730151  0.321352  1
  Al  Al5  1  0.793274  0.126506  0.277868  1
  Al  Al6  1  0.759381  0.426013  0.299404  1
  Al  Al7  1  0.126607  0.793172  0.277868  1
  Al  Al8  1  0.092714  0.092680  0.299404  1
  Al  Al9  1  0.426048  0.759347  0.299404  1
  Al  Al10  1  0.972652  0.305980  0.387533  1
  Al  Al11  1  0.305985  0.972647  0.387533  1
  Al  Al12  1  0.366579  0.366549  0.342834  1
  Al  Al13  1  0.639319  0.639313  0.387533  1
  Al  Al14  1  0.699912  0.033216  0.342834  1
  Al  Al15  1  0.669684  0.336331  0.365272  1
  Al  Al16  1  0.033245  0.699883  0.342834  1
  Al  Al17  1  0.003017  0.002997  0.365272  1
  Al  Al18  1  0.336351  0.669664  0.365272  1
  Al  Al19  1  0.880828  0.214188  0.454223  1
  Al  Al20  1  0.214161  0.880855  0.454223  1
  Al  Al21  1  0.275378  0.275381  0.409739  1
  Al  Al22  1  0.547495  0.547521  0.454223  1
  Al  Al23  1  0.608711  0.942048  0.409739  1
  Al  Al24  1  0.578034  0.244718  0.431909  1
  Al  Al25  1  0.942044  0.608715  0.409739  1
  Al  Al26  1  0.911368  0.911384  0.431909  1
  Al  Al27  1  0.244701  0.578051  0.431909  1
  Al  Al28  1  0.789116  0.122511  0.520920  1
  Al  Al29  1  0.122450  0.789177  0.520920  1
  Al  Al30  1  0.183627  0.183664  0.476490  1
  Al  Al31  1  0.455783  0.455844  0.520920  1
  Al  Al32  1  0.516960  0.850331  0.476490  1
  Al  Al33  1  0.486371  0.153087  0.498705  1
  Al  Al34  1  0.850293  0.516997  0.476490  1
  Al  Al35  1  0.819705  0.819754  0.498705  1
  Al  Al36  1  0.153038  0.486421  0.498705  1
  Al  Al37  1  0.697365  0.030793  0.587671  1
  Al  Al38  1  0.030698  0.697460  0.587671  1
  Al  Al39  1  0.091915  0.091986  0.543187  1
  Al  Al40  1  0.364032  0.364127  0.587671  1
  Al  Al41  1  0.425248  0.758653  0.543187  1
  Al  Al42  1  0.394708  0.061457  0.565501  1
  Al  Al43  1  0.758582  0.425320  0.543187  1
  Al  Al44  1  0.728042  0.728124  0.565501  1
  Al  Al45  1  0.061375  0.394790  0.565501  1
  Al  Al46  1  0.606164  0.939625  0.654576  1
  Al  Al47  1  0.939497  0.606292  0.654576  1
  Al  Al48  1  1.000091  1.000195  0.609878  1
  Al  Al49  1  0.272831  0.272959  0.654576  1
  Al  Al50  1  0.333424  0.666861  0.609878  1
  Al  Al51  1  0.303059  0.969844  0.632138  1
  Al  Al52  1  0.666757  0.333528  0.609878  1
  Al  Al53  1  0.636392  0.636511  0.632138  1
  Al  Al54  1  0.969725  0.303177  0.632138  1
  Al  Al55  1  0.512803  0.846336  0.719543  1
  Al  Al56  1  0.846136  0.513002  0.719543  1
  Al  Al57  1  0.909217  0.909357  0.676058  1
  Al  Al58  1  0.179469  0.179669  0.719543  1
  Al  Al59  1  0.242551  0.576023  0.676058  1
  Al  Al60  1  0.213362  0.880161  0.698007  1
  Al  Al61  1  0.575884  0.242690  0.676058  1
  Al  Al62  1  0.546695  0.546828  0.698007  1
  Al  Al63  1  0.880029  0.213495  0.698007  1
  Ni  Ni64  1  0.956677  0.456954  0.276144  1
  Ni  Ni65  1  0.290011  0.123620  0.276144  1
  Ni  Ni66  1  0.259759  0.426421  0.297838  1
  Ni  Ni67  1  0.623344  0.790287  0.276144  1
  Ni  Ni68  1  0.593093  0.093087  0.297838  1
  Ni  Ni69  1  0.563686  0.396525  0.321308  1
  Ni  Ni70  1  0.926426  0.759754  0.297838  1
  Ni  Ni71  1  0.897019  0.063192  0.321308  1
  Ni  Ni72  1  0.230352  0.729859  0.321308  1
  Ni  Ni73  1  0.123690  0.289946  0.276143  1
  Ni  Ni74  1  0.457024  0.956613  0.276143  1
  Ni  Ni75  1  0.426469  0.259710  0.297838  1
  Ni  Ni76  1  0.790357  0.623279  0.276143  1
  Ni  Ni77  1  0.759802  0.926377  0.297838  1
  Ni  Ni78  1  0.729907  0.230303  0.321307  1
  Ni  Ni79  1  0.093136  0.593043  0.297838  1
  Ni  Ni80  1  0.063240  0.896970  0.321307  1
  Ni  Ni81  1  0.396574  0.563637  0.321307  1
  Ni  Ni82  1  0.927975  0.261274  0.298389  1
  Ni  Ni83  1  0.261308  0.927941  0.298389  1
  Ni  Ni84  1  0.230510  0.230470  0.320731  1
  Ni  Ni85  1  0.594642  0.594607  0.298389  1
  Ni  Ni86  1  0.563843  0.897137  0.320731  1
  Ni  Ni87  1  0.625217  0.291785  0.276103  1
  Ni  Ni88  1  0.897176  0.563803  0.320731  1
  Ni  Ni89  1  0.958550  0.958452  0.276103  1
  Ni  Ni90  1  0.291883  0.625119  0.276103  1
  Ni  Ni91  1  0.866972  0.366770  0.343159  1
  Ni  Ni92  1  0.200305  0.033437  0.343159  1
  Ni  Ni93  1  0.169890  0.336213  0.365303  1
  Ni  Ni94  1  0.533638  0.700104  0.343159  1
  Ni  Ni95  1  0.503223  0.002880  0.365303  1
  Ni  Ni96  1  0.472526  0.305750  0.387334  1
  Ni  Ni97  1  0.836556  0.669547  0.365303  1
  Ni  Ni98  1  0.805859  0.972416  0.387334  1
  Ni  Ni99  1  0.139193  0.639083  0.387334  1
  Ni  Ni100  1  0.033461  0.200284  0.343160  1
  Ni  Ni101  1  0.366795  0.866950  0.343160  1
  Ni  Ni102  1  0.336231  0.169870  0.365303  1
  Ni  Ni103  1  0.700128  0.533617  0.343160  1
  Ni  Ni104  1  0.669565  0.836537  0.365303  1
  Ni  Ni105  1  0.639089  0.139186  0.387334  1
  Ni  Ni106  1  0.002898  0.503203  0.365303  1
  Ni  Ni107  1  0.972423  0.805853  0.387334  1
  Ni  Ni108  1  0.305756  0.472520  0.387334  1
  Ni  Ni109  1  0.836399  0.169713  0.365427  1
  Ni  Ni110  1  0.169733  0.836380  0.365427  1
  Ni  Ni111  1  0.139174  0.139168  0.387580  1
  Ni  Ni112  1  0.503066  0.503047  0.365427  1
  Ni  Ni113  1  0.472507  0.805835  0.387580  1
  Ni  Ni114  1  0.532803  0.199441  0.342687  1
  Ni  Ni115  1  0.805841  0.472502  0.387580  1
  Ni  Ni116  1  0.866136  0.866108  0.342687  1
  Ni  Ni117  1  0.199470  0.532774  0.342687  1
  Ni  Ni118  1  0.775263  0.275315  0.409758  1
  Ni  Ni119  1  0.108596  0.941982  0.409758  1
  Ni  Ni120  1  0.078101  0.244805  0.432010  1
  Ni  Ni121  1  0.441929  0.608649  0.409758  1
  Ni  Ni122  1  0.411435  0.911472  0.432010  1
  Ni  Ni123  1  0.380857  0.214222  0.454224  1
  Ni  Ni124  1  0.744768  0.578139  0.432010  1
  Ni  Ni125  1  0.714191  0.880888  0.454224  1
  Ni  Ni126  1  0.047524  0.547555  0.454224  1
  Ni  Ni127  1  0.941978  0.108600  0.409758  1
  Ni  Ni128  1  0.275311  0.775267  0.409758  1
  Ni  Ni129  1  0.244790  0.078117  0.432010  1
  Ni  Ni130  1  0.608644  0.441933  0.409758  1
  Ni  Ni131  1  0.578123  0.744784  0.432010  1
  Ni  Ni132  1  0.547528  0.047551  0.454224  1
  Ni  Ni133  1  0.911457  0.411450  0.432010  1
  Ni  Ni134  1  0.880862  0.714217  0.454224  1
  Ni  Ni135  1  0.214195  0.380884  0.454224  1
  Ni  Ni136  1  0.744686  0.078036  0.431900  1
  Ni  Ni137  1  0.078020  0.744703  0.431900  1
  Ni  Ni138  1  0.047511  0.047537  0.454225  1
  Ni  Ni139  1  0.411353  0.411369  0.431900  1
  Ni  Ni140  1  0.380844  0.714204  0.454225  1
  Ni  Ni141  1  0.442046  0.108716  0.409746  1
  Ni  Ni142  1  0.714177  0.380871  0.454225  1
  Ni  Ni143  1  0.775379  0.775383  0.409746  1
  Ni  Ni144  1  0.108713  0.442050  0.409746  1
  Ni  Ni145  1  0.683594  0.183629  0.476424  1
  Ni  Ni146  1  0.016928  0.850295  0.476424  1
  Ni  Ni147  1  0.986371  0.153087  0.498705  1
  Ni  Ni148  1  0.350261  0.516962  0.476424  1
  Ni  Ni149  1  0.319705  0.819754  0.498705  1
  Ni  Ni150  1  0.289149  0.122546  0.520986  1
  Ni  Ni151  1  0.653038  0.486421  0.498705  1
  Ni  Ni152  1  0.622482  0.789213  0.520986  1
  Ni  Ni153  1  0.955815  0.455879  0.520986  1
  Ni  Ni154  1  0.850257  0.016966  0.476425  1
  Ni  Ni155  1  0.183590  0.683633  0.476425  1
  Ni  Ni156  1  0.153038  0.986421  0.498705  1
  Ni  Ni157  1  0.516923  0.350300  0.476425  1
  Ni  Ni158  1  0.486371  0.653087  0.498705  1
  Ni  Ni159  1  0.455820  0.955875  0.520986  1
  Ni  Ni160  1  0.819705  0.319754  0.498705  1
  Ni  Ni161  1  0.789153  0.622542  0.520986  1
  Ni  Ni162  1  0.122486  0.289208  0.520986  1
  Ni  Ni163  1  0.653038  0.986421  0.498705  1
  Ni  Ni164  1  0.986371  0.653087  0.498705  1
  Ni  Ni165  1  0.955778  0.955839  0.520920  1
  Ni  Ni166  1  0.319705  0.319754  0.498705  1
  Ni  Ni167  1  0.289111  0.622505  0.520920  1
  Ni  Ni168  1  0.350298  0.017003  0.476491  1
  Ni  Ni169  1  0.622444  0.289172  0.520920  1
  Ni  Ni170  1  0.683632  0.683669  0.476491  1
  Ni  Ni171  1  0.016965  0.350336  0.476491  1
  Ni  Ni172  1  0.591885  0.091953  0.543186  1
  Ni  Ni173  1  0.925219  0.758620  0.543186  1
  Ni  Ni174  1  0.894641  0.061369  0.565401  1
  Ni  Ni175  1  0.258552  0.425286  0.543186  1
  Ni  Ni176  1  0.227975  0.728036  0.565401  1
  Ni  Ni177  1  0.197480  0.030859  0.587653  1
  Ni  Ni178  1  0.561308  0.394702  0.565401  1
  Ni  Ni179  1  0.530813  0.697526  0.587653  1
  Ni  Ni180  1  0.864147  0.364193  0.587653  1
  Ni  Ni181  1  0.758548  0.925291  0.543186  1
  Ni  Ni182  1  0.091881  0.591957  0.543186  1
  Ni  Ni183  1  0.061286  0.894724  0.565401  1
  Ni  Ni184  1  0.425215  0.258624  0.543186  1
  Ni  Ni185  1  0.394620  0.561391  0.565401  1
  Ni  Ni186  1  0.364099  0.864241  0.587653  1
  Ni  Ni187  1  0.727953  0.228058  0.565401  1
  Ni  Ni188  1  0.697432  0.530908  0.587653  1
  Ni  Ni189  1  0.030765  0.197574  0.587653  1
  Ni  Ni190  1  0.561390  0.894805  0.565510  1
  Ni  Ni191  1  0.894723  0.561472  0.565510  1
  Ni  Ni192  1  0.864030  0.864125  0.587665  1
  Ni  Ni193  1  0.228057  0.228139  0.565510  1
  Ni  Ni194  1  0.197364  0.530792  0.587665  1
  Ni  Ni195  1  0.258566  0.925304  0.543186  1
  Ni  Ni196  1  0.530697  0.197458  0.587665  1
  Ni  Ni197  1  0.591899  0.591971  0.543186  1
  Ni  Ni198  1  0.925232  0.258637  0.543186  1
  Ni  Ni199  1  0.500217  1.000425  0.610076  1
  Ni  Ni200  1  0.833550  0.667092  0.610076  1
  Ni  Ni201  1  0.802853  0.969961  0.632107  1
  Ni  Ni202  1  0.166884  0.333758  0.610076  1
  Ni  Ni203  1  0.136187  0.636628  0.632107  1
  Ni  Ni204  1  0.105771  0.939404  0.654251  1
  Ni  Ni205  1  0.469520  0.303295  0.632107  1
  Ni  Ni206  1  0.439105  0.606071  0.654251  1
  Ni  Ni207  1  0.772438  0.272738  0.654251  1
  Ni  Ni208  1  0.666987  0.833655  0.610076  1
  Ni  Ni209  1  1.000320  0.500321  0.610076  1
  Ni  Ni210  1  0.969845  0.802971  0.632108  1
  Ni  Ni211  1  0.333653  0.166988  0.610076  1
  Ni  Ni212  1  0.303178  0.469638  0.632108  1
  Ni  Ni213  1  0.272615  0.772558  0.654251  1
  Ni  Ni214  1  0.636511  0.136305  0.632108  1
  Ni  Ni215  1  0.605948  0.439224  0.654251  1
  Ni  Ni216  1  0.939282  0.105891  0.654251  1
  Ni  Ni217  1  0.469677  0.803128  0.631984  1
  Ni  Ni218  1  0.803010  0.469795  0.631984  1
  Ni  Ni219  1  0.773273  0.773400  0.654724  1
  Ni  Ni220  1  0.136343  0.136461  0.631984  1
  Ni  Ni221  1  0.106607  0.440067  0.654724  1
  Ni  Ni222  1  0.166902  0.833673  0.609831  1
  Ni  Ni223  1  0.439940  0.106734  0.654724  1
  Ni  Ni224  1  0.500236  0.500340  0.609831  1
  Ni  Ni225  1  0.833569  0.167006  0.609831  1
  Ni  Ni226  1  0.409057  0.909649  0.676102  1
  Ni  Ni227  1  0.742390  0.576316  0.676102  1
  Ni  Ni228  1  0.712984  0.879754  0.699572  1
  Ni  Ni229  1  0.075724  0.242983  0.676102  1
  Ni  Ni230  1  0.046317  0.546421  0.699572  1
  Ni  Ni231  1  0.016066  0.849221  0.721267  1
  Ni  Ni232  1  0.379650  0.213087  0.699572  1
  Ni  Ni233  1  0.349399  0.515887  0.721267  1
  Ni  Ni234  1  0.682732  0.182554  0.721267  1
  Ni  Ni235  1  0.576169  0.742538  0.676103  1
  Ni  Ni236  1  0.909503  0.409204  0.676103  1
  Ni  Ni237  1  0.879607  0.713131  0.699573  1
  Ni  Ni238  1  0.242836  0.075871  0.676103  1
  Ni  Ni239  1  0.212940  0.379798  0.699573  1
  Ni  Ni240  1  0.182386  0.682895  0.721268  1
  Ni  Ni241  1  0.546274  0.046464  0.699573  1
  Ni  Ni242  1  0.515719  0.349562  0.721268  1
  Ni  Ni243  1  0.849053  0.016229  0.721268  1
  Ni  Ni244  1  0.378101  0.711567  0.699022  1
  Ni  Ni245  1  0.711434  0.378234  0.699022  1
  Ni  Ni246  1  0.680859  0.681056  0.721307  1
  Ni  Ni247  1  0.044768  0.044901  0.699022  1
  Ni  Ni248  1  0.014193  0.347722  0.721307  1
  Ni  Ni249  1  0.075566  0.742371  0.676680  1
  Ni  Ni250  1  0.347526  0.014389  0.721307  1
  Ni  Ni251  1  0.408900  0.409038  0.676680  1
  Ni  Ni252  1  0.742233  0.075704  0.676680  1
