# generated using pymatgen
data_AlNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.09600502
_cell_length_b   18.38721871
_cell_length_c   51.44389263
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlNi3
_chemical_formula_sum   'Al48 Ni144'
_cell_volume   4820.36264174
_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  0.550155  0.300216  0.304951  1
  Al  Al2  1  0.550155  -0.003601  0.267813  1
  Al  Al3  1  0.550155  0.725625  0.254079  1
  Al  Al4  1  0.050155  0.165871  0.298289  1
  Al  Al5  1  0.050155  0.861434  0.260972  1
  Al  Al6  1  0.050155  0.469065  0.335113  1
  Al  Al7  1  0.050155  0.361519  0.261518  1
  Al  Al8  1  0.050155  0.969509  0.334634  1
  Al  Al9  1  0.050155  0.663978  0.297562  1
  Al  Al10  1  0.550155  0.105511  0.341932  1
  Al  Al11  1  0.550155  0.832902  0.327557  1
  Al  Al12  1  0.550155  0.530444  0.290712  1
  Al  Al13  1  0.550155  0.212534  0.416457  1
  Al  Al14  1  0.550155  0.940624  0.402315  1
  Al  Al15  1  0.550155  0.638156  0.364960  1
  Al  Al16  1  0.050155  0.076518  0.409394  1
  Al  Al17  1  0.050155  0.772341  0.371843  1
  Al  Al18  1  0.050155  0.380930  0.447143  1
  Al  Al19  1  0.050155  0.273410  0.372648  1
  Al  Al20  1  0.050155  0.879724  0.446231  1
  Al  Al21  1  0.050155  0.576694  0.409532  1
  Al  Al22  1  0.550155  0.048016  0.476936  1
  Al  Al23  1  0.550155  0.745784  0.439352  1
  Al  Al24  1  0.550155  0.407441  0.379632  1
  Al  Al25  1  0.550155  0.155542  0.551386  1
  Al  Al26  1  0.550155  0.853117  0.513817  1
  Al  Al27  1  0.550155  0.515013  0.454052  1
  Al  Al28  1  0.050155  -0.012815  0.520756  1
  Al  Al29  1  0.050155  0.684086  0.483921  1
  Al  Al30  1  0.050155  0.291521  0.558419  1
  Al  Al31  1  0.050155  0.184004  0.483926  1
  Al  Al32  1  0.050155  0.791372  0.558241  1
  Al  Al33  1  0.050155  0.488401  0.521582  1
  Al  Al34  1  0.550155  0.960461  0.588304  1
  Al  Al35  1  0.550155  0.622414  0.528519  1
  Al  Al36  1  0.550155  0.320056  0.490944  1
  Al  Al37  1  0.550155  0.068947  0.662888  1
  Al  Al38  1  0.550155  0.729794  0.603260  1
  Al  Al39  1  0.550155  0.427513  0.565494  1
  Al  Al40  1  0.050155  0.899747  0.632473  1
  Al  Al41  1  0.050155  0.595509  0.595992  1
  Al  Al42  1  0.050155  0.201531  0.669156  1
  Al  Al43  1  0.050155  0.094670  0.595596  1
  Al  Al44  1  0.050155  0.704642  0.670119  1
  Al  Al45  1  0.050155  0.398603  0.632736  1
  Al  Al46  1  0.550155  0.836213  0.676760  1
  Al  Al47  1  0.550155  0.535294  0.639696  1
  Al  Al48  1  0.550155  0.263784  0.625827  1
  Ni  Ni49  1  0.298604  0.219754  0.335102  1
  Ni  Ni50  1  0.300032  0.915244  0.298122  1
  Ni  Ni51  1  0.298976  0.610757  0.260332  1
  Ni  Ni52  1  0.050155  0.301922  0.305588  1
  Ni  Ni53  1  0.050155  -0.001869  0.269435  1
  Ni  Ni54  1  0.050155  0.725617  0.254004  1
  Ni  Ni55  1  0.801706  0.219754  0.335102  1
  Ni  Ni56  1  0.800278  0.915244  0.298122  1
  Ni  Ni57  1  0.801334  0.610757  0.260332  1
  Ni  Ni58  1  0.798439  0.051511  0.305271  1
  Ni  Ni59  1  0.800798  0.778826  0.290804  1
  Ni  Ni60  1  0.800254  0.476597  0.253583  1
  Ni  Ni61  1  0.550155  0.165375  0.297983  1
  Ni  Ni62  1  0.550155  0.860441  0.262040  1
  Ni  Ni63  1  0.550155  0.469151  0.335190  1
  Ni  Ni64  1  0.301870  0.051511  0.305271  1
  Ni  Ni65  1  0.299512  0.778826  0.290804  1
  Ni  Ni66  1  0.300056  0.476597  0.253583  1
  Ni  Ni67  1  0.799493  0.246563  0.267709  1
  Ni  Ni68  1  0.799761  0.887345  0.364694  1
  Ni  Ni69  1  0.799449  0.583456  0.327739  1
  Ni  Ni70  1  0.550155  0.362882  0.261545  1
  Ni  Ni71  1  0.550155  0.969292  0.334944  1
  Ni  Ni72  1  0.550155  0.665433  0.298274  1
  Ni  Ni73  1  0.300816  0.246563  0.267709  1
  Ni  Ni74  1  0.300548  0.887345  0.364694  1
  Ni  Ni75  1  0.300861  0.583456  0.327739  1
  Ni  Ni76  1  0.299457  0.112381  0.260946  1
  Ni  Ni77  1  0.298654  0.718668  0.334914  1
  Ni  Ni78  1  0.300086  0.415580  0.298240  1
  Ni  Ni79  1  0.050155  0.105602  0.342767  1
  Ni  Ni80  1  0.050155  0.832808  0.327186  1
  Ni  Ni81  1  0.050155  0.528681  0.290647  1
  Ni  Ni82  1  0.800853  0.112381  0.260946  1
  Ni  Ni83  1  0.801655  0.718668  0.334914  1
  Ni  Ni84  1  0.800224  0.415580  0.298240  1
  Ni  Ni85  1  0.300059  0.130236  0.446673  1
  Ni  Ni86  1  0.298869  0.826406  0.409213  1
  Ni  Ni87  1  0.300069  0.522851  0.372339  1
  Ni  Ni88  1  0.050155  0.212658  0.417253  1
  Ni  Ni89  1  0.050155  0.940418  0.401552  1
  Ni  Ni90  1  0.050155  0.636260  0.364522  1
  Ni  Ni91  1  0.800251  0.130236  0.446673  1
  Ni  Ni92  1  0.801441  0.826406  0.409213  1
  Ni  Ni93  1  0.800241  0.522851  0.372339  1
  Ni  Ni94  1  0.799734  -0.005303  0.439342  1
  Ni  Ni95  1  0.799565  0.691200  0.402085  1
  Ni  Ni96  1  0.799460  0.354518  0.342437  1
  Ni  Ni97  1  0.550155  0.076528  0.409388  1
  Ni  Ni98  1  0.550155  0.773625  0.372412  1
  Ni  Ni99  1  0.550155  0.379770  0.446430  1
  Ni  Ni100  1  0.300575  -0.005303  0.439342  1
  Ni  Ni101  1  0.300745  0.691200  0.402085  1
  Ni  Ni102  1  0.300849  0.354518  0.342437  1
  Ni  Ni103  1  0.799749  0.158474  0.379497  1
  Ni  Ni104  1  0.799664  0.798579  0.476527  1
  Ni  Ni105  1  0.799711  0.462113  0.416887  1
  Ni  Ni106  1  0.550155  0.272241  0.371969  1
  Ni  Ni107  1  0.550155  0.880924  0.446924  1
  Ni  Ni108  1  0.550155  0.576677  0.409521  1
  Ni  Ni109  1  0.300561  0.158474  0.379497  1
  Ni  Ni110  1  0.300646  0.798579  0.476527  1
  Ni  Ni111  1  0.300598  0.462113  0.416887  1
  Ni  Ni112  1  0.299815  0.022914  0.372076  1
  Ni  Ni113  1  0.300198  0.630415  0.446718  1
  Ni  Ni114  1  0.298680  0.326837  0.409675  1
  Ni  Ni115  1  0.050155  0.047872  0.476127  1
  Ni  Ni116  1  0.050155  0.743842  0.438895  1
  Ni  Ni117  1  0.050155  0.409349  0.380060  1
  Ni  Ni118  1  0.800494  0.022914  0.372076  1
  Ni  Ni119  1  0.800111  0.630415  0.446718  1
  Ni  Ni120  1  0.801630  0.326837  0.409675  1
  Ni  Ni121  1  0.298469  0.041291  0.558289  1
  Ni  Ni122  1  0.300284  0.737708  0.521127  1
  Ni  Ni123  1  0.298755  0.434371  0.484130  1
  Ni  Ni124  1  0.050155  0.155316  0.550702  1
  Ni  Ni125  1  0.050155  0.851215  0.513349  1
  Ni  Ni126  1  0.050155  0.516933  0.454501  1
  Ni  Ni127  1  0.801841  0.041291  0.558289  1
  Ni  Ni128  1  0.800026  0.737708  0.521127  1
  Ni  Ni129  1  0.801555  0.434371  0.484130  1
  Ni  Ni130  1  0.799625  0.905995  0.550978  1
  Ni  Ni131  1  0.799672  0.569606  0.491329  1
  Ni  Ni132  1  0.799768  0.265865  0.454003  1
  Ni  Ni133  1  0.550155  -0.011629  0.521470  1
  Ni  Ni134  1  0.550155  0.684079  0.483925  1
  Ni  Ni135  1  0.550155  0.291547  0.558420  1
  Ni  Ni136  1  0.300685  0.905995  0.550978  1
  Ni  Ni137  1  0.300638  0.569606  0.491329  1
  Ni  Ni138  1  0.300542  0.265865  0.454003  1
  Ni  Ni139  1  0.799873  0.102188  0.513892  1
  Ni  Ni140  1  0.799365  0.676971  0.565833  1
  Ni  Ni141  1  0.799750  0.373403  0.528501  1
  Ni  Ni142  1  0.550155  0.184007  0.483939  1
  Ni  Ni143  1  0.550155  0.791287  0.558372  1
  Ni  Ni144  1  0.550155  0.487218  0.520897  1
  Ni  Ni145  1  0.300437  0.102188  0.513892  1
  Ni  Ni146  1  0.300945  0.676971  0.565833  1
  Ni  Ni147  1  0.300560  0.373403  0.528501  1
  Ni  Ni148  1  0.298749  0.933746  0.483728  1
  Ni  Ni149  1  0.298755  0.541710  0.558578  1
  Ni  Ni150  1  0.299961  0.237767  0.521181  1
  Ni  Ni151  1  0.050155  0.958838  0.587785  1
  Ni  Ni152  1  0.050155  0.624376  0.528967  1
  Ni  Ni153  1  0.050155  0.320192  0.491747  1
  Ni  Ni154  1  0.801561  0.933746  0.483728  1
  Ni  Ni155  1  0.801554  0.541710  0.558578  1
  Ni  Ni156  1  0.800349  0.237767  0.521181  1
  Ni  Ni157  1  0.301173  0.952433  0.669765  1
  Ni  Ni158  1  0.297330  0.648922  0.632703  1
  Ni  Ni159  1  0.299827  0.345185  0.595657  1
  Ni  Ni160  1  0.050155  0.065814  0.661377  1
  Ni  Ni161  1  0.050155  0.731621  0.603246  1
  Ni  Ni162  1  0.050155  0.427671  0.566254  1
  Ni  Ni163  1  0.799137  0.952433  0.669765  1
  Ni  Ni164  1  0.802980  0.648922  0.632703  1
  Ni  Ni165  1  0.800483  0.345185  0.595657  1
  Ni  Ni166  1  0.800998  0.784936  0.639743  1
  Ni  Ni167  1  0.799564  0.480627  0.603024  1
  Ni  Ni168  1  0.799618  0.209719  0.588334  1
  Ni  Ni169  1  0.550155  0.898421  0.632475  1
  Ni  Ni170  1  0.550155  0.594481  0.595299  1
  Ni  Ni171  1  0.550155  0.203179  0.669289  1
  Ni  Ni172  1  0.299312  0.784936  0.639743  1
  Ni  Ni173  1  0.300746  0.480627  0.603024  1
  Ni  Ni174  1  0.300692  0.209719  0.588334  1
  Ni  Ni175  1  0.797504  0.013385  0.625318  1
  Ni  Ni176  1  0.800721  0.587993  0.676952  1
  Ni  Ni177  1  0.800205  0.317610  0.663077  1
  Ni  Ni178  1  0.550155  0.095795  0.595841  1
  Ni  Ni179  1  0.550155  0.701609  0.668532  1
  Ni  Ni180  1  0.550155  0.399134  0.632499  1
  Ni  Ni181  1  0.302806  0.013385  0.625318  1
  Ni  Ni182  1  0.299589  0.587993  0.676952  1
  Ni  Ni183  1  0.300105  0.317610  0.663077  1
  Ni  Ni184  1  0.299804  0.845083  0.595408  1
  Ni  Ni185  1  0.299437  0.452825  0.669886  1
  Ni  Ni186  1  0.300145  0.149152  0.632403  1
  Ni  Ni187  1  0.050155  0.839023  0.676525  1
  Ni  Ni188  1  0.050155  0.534944  0.639931  1
  Ni  Ni189  1  0.050155  0.262873  0.625030  1
  Ni  Ni190  1  0.800505  0.845083  0.595408  1
  Ni  Ni191  1  0.800873  0.452825  0.669886  1
  Ni  Ni192  1  0.800165  0.149152  0.632403  1
