# generated using pymatgen
data_AlNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.24495999
_cell_length_b   10.24275489
_cell_length_c   47.80150471
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   72.07978686
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlNi
_chemical_formula_sum   'Al90 Ni90'
_cell_volume   4772.77518313
_cell_formula_units_Z   90
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  0.711405  0.045999  0.291406  1
  Al  Al2  1  0.053276  0.715192  0.290862  1
  Al  Al3  1  0.971490  0.971573  0.319854  1
  Al  Al4  1  0.349456  0.005711  0.304497  1
  Al  Al5  1  0.671137  0.684021  0.304495  1
  Al  Al6  1  0.006496  0.341066  0.304803  1
  Al  Al7  1  0.380596  0.387870  0.290861  1
  Al  Al8  1  0.301594  0.636212  0.320351  1
  Al  Al9  1  0.636954  0.306100  0.319856  1
  Al  Al10  1  0.598321  0.932888  0.334369  1
  Al  Al11  1  0.933599  0.599089  0.336870  1
  Al  Al12  1  0.853391  0.855259  0.363427  1
  Al  Al13  1  0.225794  0.895257  0.350284  1
  Al  Al14  1  0.560713  0.560338  0.350285  1
  Al  Al15  1  0.893547  0.228099  0.349429  1
  Al  Al16  1  0.264538  0.268150  0.336870  1
  Al  Al17  1  0.186840  0.521398  0.363454  1
  Al  Al18  1  0.520705  0.187946  0.363427  1
  Al  Al19  1  0.480850  0.815374  0.377830  1
  Al  Al20  1  0.813526  0.482096  0.377684  1
  Al  Al21  1  0.734786  0.736856  0.406621  1
  Al  Al22  1  0.108003  0.776189  0.392278  1
  Al  Al23  1  0.441674  0.442516  0.392278  1
  Al  Al24  1  0.774425  0.108938  0.392132  1
  Al  Al25  1  0.147567  0.148054  0.377685  1
  Al  Al26  1  0.068291  0.402798  0.406747  1
  Al  Al27  1  0.402351  0.069294  0.406622  1
  Al  Al28  1  0.362338  0.696823  0.421477  1
  Al  Al29  1  0.695993  0.363459  0.421388  1
  Al  Al30  1  0.617271  0.618346  0.450807  1
  Al  Al31  1  0.989988  0.657837  0.436390  1
  Al  Al32  1  0.323367  0.324458  0.436390  1
  Al  Al33  1  0.656396  0.990869  0.435896  1
  Al  Al34  1  0.028974  0.030479  0.421388  1
  Al  Al35  1  0.950426  0.284887  0.450551  1
  Al  Al36  1  0.283889  0.951729  0.450807  1
  Al  Al37  1  0.244387  0.578831  0.465187  1
  Al  Al38  1  0.577902  0.245478  0.465235  1
  Al  Al39  1  0.499153  0.499919  0.494363  1
  Al  Al40  1  0.871570  0.539590  0.479752  1
  Al  Al41  1  0.205162  0.205998  0.479752  1
  Al  Al42  1  0.538309  0.872736  0.479791  1
  Al  Al43  1  0.911035  0.912345  0.465235  1
  Al  Al44  1  0.832175  0.166589  0.494316  1
  Al  Al45  1  0.165505  0.833567  0.494362  1
  Al  Al46  1  0.126048  0.460447  0.508821  1
  Al  Al47  1  0.459673  0.127138  0.508862  1
  Al  Al48  1  0.380831  0.381643  0.538002  1
  Al  Al49  1  0.753547  0.420987  0.523429  1
  Al  Al50  1  0.086602  0.087932  0.523428  1
  Al  Al51  1  0.420009  0.754393  0.523444  1
  Al  Al52  1  0.792739  0.794072  0.508861  1
  Al  Al53  1  0.713953  0.048325  0.537953  1
  Al  Al54  1  0.047273  0.715201  0.538002  1
  Al  Al55  1  0.007753  0.342110  0.552272  1
  Al  Al56  1  0.341270  0.008934  0.552531  1
  Al  Al57  1  0.262834  0.263556  0.581724  1
  Al  Al58  1  0.635386  0.303068  0.567289  1
  Al  Al59  1  0.968727  0.969727  0.567289  1
  Al  Al60  1  0.301686  0.636030  0.566686  1
  Al  Al61  1  0.674580  0.675624  0.552531  1
  Al  Al62  1  0.595799  0.930126  0.581786  1
  Al  Al63  1  0.929228  0.597161  0.581724  1
  Al  Al64  1  0.889670  0.223979  0.596596  1
  Al  Al65  1  0.222825  0.891505  0.596535  1
  Al  Al66  1  0.143828  0.145615  0.625438  1
  Al  Al67  1  0.517399  0.184764  0.610962  1
  Al  Al68  1  0.850465  0.851699  0.610962  1
  Al  Al69  1  0.183519  0.517818  0.610850  1
  Al  Al70  1  0.557199  0.557134  0.596536  1
  Al  Al71  1  0.477880  0.812161  0.625439  1
  Al  Al72  1  0.811329  0.478113  0.625439  1
  Al  Al73  1  0.771150  0.105414  0.639460  1
  Al  Al74  1  0.104285  0.773010  0.639633  1
  Al  Al75  1  0.027972  0.027264  0.668863  1
  Al  Al76  1  0.398999  0.065136  0.653331  1
  Al  Al77  1  0.730871  0.733264  0.653331  1
  Al  Al78  1  0.065418  0.399690  0.652496  1
  Al  Al79  1  0.438751  0.438544  0.639633  1
  Al  Al80  1  0.359656  0.693918  0.665736  1
  Al  Al81  1  0.693017  0.362220  0.668863  1
  Al  Al82  1  0.652361  0.986564  0.683385  1
  Al  Al83  1  0.989659  0.656079  0.682889  1
  Al  Al84  1  0.914954  0.909758  0.711817  1
  Al  Al85  1  0.278679  0.954692  0.698586  1
  Al  Al86  1  0.620448  0.612933  0.698589  1
  Al  Al87  1  0.946158  0.280408  0.698529  1
  Al  Al88  1  0.321875  0.323853  0.682890  1
  Al  Al89  1  0.239737  0.573951  0.712560  1
  Al  Al90  1  0.575538  0.249167  0.711816  1
  Ni  Ni91  1  0.446444  0.781001  0.327360  1
  Ni  Ni92  1  0.903969  0.574891  0.289598  1
  Ni  Ni93  1  0.829925  0.816551  0.313687  1
  Ni  Ni94  1  0.199517  0.863984  0.302199  1
  Ni  Ni95  1  0.529317  0.534169  0.302200  1
  Ni  Ni96  1  0.860176  0.194853  0.301337  1
  Ni  Ni97  1  0.240280  0.238577  0.289598  1
  Ni  Ni98  1  0.151158  0.485732  0.312737  1
  Ni  Ni99  1  0.481969  0.164514  0.313688  1
  Ni  Ni100  1  0.333603  0.668128  0.370368  1
  Ni  Ni101  1  0.781892  0.457266  0.325255  1
  Ni  Ni102  1  0.705090  0.708333  0.354912  1
  Ni  Ni103  1  0.078775  0.748148  0.340849  1
  Ni  Ni104  1  0.413553  0.413369  0.340849  1
  Ni  Ni105  1  0.746007  0.080597  0.340626  1
  Ni  Ni106  1  0.122713  0.116450  0.325256  1
  Ni  Ni107  1  0.038524  0.373056  0.355405  1
  Ni  Ni108  1  0.373794  0.039628  0.354915  1
  Ni  Ni109  1  0.215420  0.549912  0.414250  1
  Ni  Ni110  1  0.667806  0.333840  0.370274  1
  Ni  Ni111  1  0.588680  0.590098  0.400360  1
  Ni  Ni112  1  0.961818  0.630136  0.386263  1
  Ni  Ni113  1  0.295599  0.296353  0.386263  1
  Ni  Ni114  1  0.627830  0.962363  0.384764  1
  Ni  Ni115  1  0.999315  1.002332  0.370273  1
  Ni  Ni116  1  0.921733  0.256241  0.399770  1
  Ni  Ni117  1  0.255595  0.923187  0.400360  1
  Ni  Ni118  1  0.097168  0.431616  0.457820  1
  Ni  Ni119  1  0.548587  0.216900  0.414319  1
  Ni  Ni120  1  0.470465  0.471340  0.443331  1
  Ni  Ni121  1  0.842613  0.511265  0.428674  1
  Ni  Ni122  1  0.176780  0.177098  0.428675  1
  Ni  Ni123  1  0.509284  0.843766  0.428827  1
  Ni  Ni124  1  0.882405  0.883078  0.414319  1
  Ni  Ni125  1  0.803264  0.137728  0.443209  1
  Ni  Ni126  1  0.136876  0.804929  0.443330  1
  Ni  Ni127  1  0.979079  0.313487  0.501396  1
  Ni  Ni128  1  0.431102  0.098212  0.457771  1
  Ni  Ni129  1  0.352151  0.353169  0.487175  1
  Ni  Ni130  1  0.724919  0.392337  0.472410  1
  Ni  Ni131  1  0.057900  0.059357  0.472409  1
  Ni  Ni132  1  0.391231  0.725666  0.472482  1
  Ni  Ni133  1  0.763763  0.765551  0.457770  1
  Ni  Ni134  1  0.685210  0.019630  0.486919  1
  Ni  Ni135  1  0.018748  0.686572  0.487175  1
  Ni  Ni136  1  0.860818  0.195180  0.545449  1
  Ni  Ni137  1  0.312588  0.980356  0.501681  1
  Ni  Ni138  1  0.234007  0.234709  0.530720  1
  Ni  Ni139  1  0.606544  0.274167  0.516265  1
  Ni  Ni140  1  0.939775  0.940937  0.516265  1
  Ni  Ni141  1  0.272890  0.607283  0.515959  1
  Ni  Ni142  1  0.645951  0.646994  0.501681  1
  Ni  Ni143  1  0.566967  0.901343  0.530786  1
  Ni  Ni144  1  0.900332  0.568385  0.530719  1
  Ni  Ni145  1  0.742668  0.076987  0.588742  1
  Ni  Ni146  1  0.194119  0.862537  0.545421  1
  Ni  Ni147  1  0.115360  0.117175  0.574433  1
  Ni  Ni148  1  0.488521  0.155983  0.559920  1
  Ni  Ni149  1  0.821634  0.822871  0.559919  1
  Ni  Ni150  1  0.154613  0.488962  0.559805  1
  Ni  Ni151  1  0.528173  0.528483  0.545422  1
  Ni  Ni152  1  0.448509  0.782837  0.574519  1
  Ni  Ni153  1  0.782843  0.449691  0.574434  1
  Ni  Ni154  1  0.624846  0.959133  0.632835  1
  Ni  Ni155  1  0.076571  0.743554  0.588884  1
  Ni  Ni156  1  0.997068  0.998567  0.618425  1
  Ni  Ni157  1  0.369646  0.037737  0.603151  1
  Ni  Ni158  1  0.703434  0.703952  0.603151  1
  Ni  Ni159  1  0.036063  0.370371  0.602580  1
  Ni  Ni160  1  0.409235  0.410893  0.588884  1
  Ni  Ni161  1  0.329490  0.663769  0.616619  1
  Ni  Ni162  1  0.664283  0.331352  0.618425  1
  Ni  Ni163  1  0.504794  0.839055  0.678041  1
  Ni  Ni164  1  0.957329  0.626791  0.632785  1
  Ni  Ni165  1  0.878201  0.881286  0.662427  1
  Ni  Ni166  1  0.251176  0.921758  0.648079  1
  Ni  Ni167  1  0.587484  0.585450  0.648083  1
  Ni  Ni168  1  0.918330  0.252596  0.648319  1
  Ni  Ni169  1  0.292504  0.291617  0.632786  1
  Ni  Ni170  1  0.212637  0.546856  0.662294  1
  Ni  Ni171  1  0.547059  0.212426  0.662426  1
  Ni  Ni172  1  0.385004  0.719215  0.713009  1
  Ni  Ni173  1  0.846672  0.509126  0.676231  1
  Ni  Ni174  1  0.765000  0.761610  0.701399  1
  Ni  Ni175  1  0.144900  0.796903  0.689442  1
  Ni  Ni176  1  0.462679  0.479131  0.689442  1
  Ni  Ni177  1  0.798244  0.132465  0.688449  1
  Ni  Ni178  1  0.174866  0.180926  0.676230  1
  Ni  Ni179  1  0.092469  0.426634  0.700579  1
  Ni  Ni180  1  0.427455  0.099138  0.701399  1
