# generated using pymatgen
data_AlNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.28493380
_cell_length_b   10.28012877
_cell_length_c   48.00282432
_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   4829.13347047
_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  0.711081  0.045753  0.288848  1
  Al  Al2  1  0.058014  0.719026  0.286842  1
  Al  Al3  1  0.970981  0.972000  0.317216  1
  Al  Al4  1  0.360233  0.999485  0.299059  1
  Al  Al5  1  0.664887  0.694839  0.299056  1
  Al  Al6  1  0.004701  0.339301  0.301238  1
  Al  Al7  1  0.384348  0.392685  0.286841  1
  Al  Al8  1  0.300501  0.635162  0.316761  1
  Al  Al9  1  0.637316  0.305615  0.317229  1
  Al  Al10  1  0.597157  0.931767  0.330955  1
  Al  Al11  1  0.933240  0.597956  0.336635  1
  Al  Al12  1  0.853452  0.851974  0.362963  1
  Al  Al13  1  0.223924  0.894944  0.349948  1
  Al  Al14  1  0.560420  0.558456  0.349951  1
  Al  Al15  1  0.892991  0.227562  0.347709  1
  Al  Al16  1  0.263393  0.267819  0.336634  1
  Al  Al17  1  0.184862  0.519416  0.362566  1
  Al  Al18  1  0.517445  0.187981  0.362956  1
  Al  Al19  1  0.478696  0.813172  0.377313  1
  Al  Al20  1  0.811148  0.482367  0.376512  1
  Al  Al21  1  0.732457  0.736971  0.405402  1
  Al  Al22  1  0.107482  0.775491  0.391267  1
  Al  Al23  1  0.441031  0.441941  0.391270  1
  Al  Al24  1  0.772438  0.106870  0.391539  1
  Al  Al25  1  0.147875  0.145641  0.376520  1
  Al  Al26  1  0.066194  0.400604  0.406098  1
  Al  Al27  1  0.402540  0.066888  0.405406  1
  Al  Al28  1  0.360398  0.694784  0.420272  1
  Al  Al29  1  0.695663  0.361330  0.420275  1
  Al  Al30  1  0.616361  0.617056  0.450003  1
  Al  Al31  1  0.989315  0.656382  0.435735  1
  Al  Al32  1  0.322042  0.323662  0.435732  1
  Al  Al33  1  0.654912  0.989277  0.434264  1
  Al  Al34  1  0.026948  0.030053  0.420269  1
  Al  Al35  1  0.949222  0.283559  0.448957  1
  Al  Al36  1  0.282744  0.950670  0.450003  1
  Al  Al37  1  0.243143  0.577439  0.463738  1
  Al  Al38  1  0.576394  0.244734  0.464192  1
  Al  Al39  1  0.498845  0.498698  0.493000  1
  Al  Al40  1  0.870042  0.539207  0.478449  1
  Al  Al41  1  0.204953  0.204293  0.478454  1
  Al  Al42  1  0.537009  0.871257  0.478560  1
  Al  Al43  1  0.910453  0.910675  0.464197  1
  Al  Al44  1  0.830862  0.165070  0.493151  1
  Al  Al45  1  0.164475  0.833070  0.492998  1
  Al  Al46  1  0.124743  0.458916  0.507632  1
  Al  Al47  1  0.459255  0.126016  0.507375  1
  Al  Al48  1  0.379727  0.381308  0.536588  1
  Al  Al49  1  0.753516  0.419586  0.521949  1
  Al  Al50  1  0.085435  0.087670  0.521944  1
  Al  Al51  1  0.418924  0.753070  0.522149  1
  Al  Al52  1  0.791826  0.793445  0.507373  1
  Al  Al53  1  0.713042  0.047167  0.536140  1
  Al  Al54  1  0.047194  0.713841  0.536593  1
  Al  Al55  1  0.006938  0.341037  0.550163  1
  Al  Al56  1  0.340923  0.007774  0.551140  1
  Al  Al57  1  0.263487  0.262360  0.580241  1
  Al  Al58  1  0.634804  0.302676  0.566028  1
  Al  Al59  1  0.968629  0.968844  0.566032  1
  Al  Al60  1  0.300893  0.634960  0.564419  1
  Al  Al61  1  0.673698  0.674996  0.551139  1
  Al  Al62  1  0.594898  0.928917  0.579966  1
  Al  Al63  1  0.928350  0.597506  0.580236  1
  Al  Al64  1  0.888363  0.222330  0.595092  1
  Al  Al65  1  0.221398  0.892323  0.594832  1
  Al  Al66  1  0.143363  0.146221  0.623392  1
  Al  Al67  1  0.516951  0.184802  0.608940  1
  Al  Al68  1  0.850844  0.850910  0.608939  1
  Al  Al69  1  0.181911  0.515845  0.609316  1
  Al  Al70  1  0.558335  0.555383  0.594836  1
  Al  Al71  1  0.476735  0.810635  0.624243  1
  Al  Al72  1  0.812300  0.477282  0.623399  1
  Al  Al73  1  0.770441  0.104324  0.636967  1
  Al  Al74  1  0.105955  0.770578  0.637547  1
  Al  Al75  1  0.027976  0.026515  0.669222  1
  Al  Al76  1  0.399591  0.062369  0.651718  1
  Al  Al77  1  0.728523  0.733432  0.651713  1
  Al  Al78  1  0.064507  0.398386  0.649893  1
  Al  Al79  1  0.436710  0.439823  0.637539  1
  Al  Al80  1  0.358700  0.692545  0.663010  1
  Al  Al81  1  0.692716  0.361787  0.669219  1
  Al  Al82  1  0.650198  0.983963  0.682689  1
  Al  Al83  1  0.987264  0.655579  0.683502  1
  Al  Al84  1  0.912305  0.906304  0.711611  1
  Al  Al85  1  0.266918  0.959183  0.700947  1
  Al  Al86  1  0.625382  0.600712  0.700951  1
  Al  Al87  1  0.941684  0.275470  0.700155  1
  Al  Al88  1  0.321818  0.320993  0.683510  1
  Al  Al89  1  0.234423  0.568139  0.713937  1
  Al  Al90  1  0.572568  0.246035  0.711610  1
  Ni  Ni91  1  0.446518  0.781096  0.327093  1
  Ni  Ni92  1  0.904515  0.575803  0.288458  1
  Ni  Ni93  1  0.831853  0.816941  0.312939  1
  Ni  Ni94  1  0.201335  0.869091  0.300962  1
  Ni  Ni95  1  0.534368  0.536031  0.300966  1
  Ni  Ni96  1  0.860926  0.195719  0.298913  1
  Ni  Ni97  1  0.241121  0.239179  0.288458  1
  Ni  Ni98  1  0.152008  0.486652  0.312074  1
  Ni  Ni99  1  0.482280  0.166494  0.312932  1
  Ni  Ni100  1  0.331171  0.665662  0.368778  1
  Ni  Ni101  1  0.780399  0.460065  0.324720  1
  Ni  Ni102  1  0.702131  0.708964  0.353535  1
  Ni  Ni103  1  0.078727  0.746568  0.340172  1
  Ni  Ni104  1  0.411954  0.413348  0.340176  1
  Ni  Ni105  1  0.744317  0.078876  0.340712  1
  Ni  Ni106  1  0.125472  0.115012  0.324731  1
  Ni  Ni107  1  0.036770  0.371280  0.354774  1
  Ni  Ni108  1  0.374414  0.036666  0.353541  1
  Ni  Ni109  1  0.213628  0.548042  0.413159  1
  Ni  Ni110  1  0.667206  0.330568  0.369105  1
  Ni  Ni111  1  0.587792  0.588465  0.399794  1
  Ni  Ni112  1  0.961060  0.627756  0.385882  1
  Ni  Ni113  1  0.293291  0.295535  0.385879  1
  Ni  Ni114  1  0.625748  0.960241  0.382720  1
  Ni  Ni115  1  0.996078  1.001709  0.369096  1
  Ni  Ni116  1  0.920173  0.254631  0.398206  1
  Ni  Ni117  1  0.254042  0.922218  0.399793  1
  Ni  Ni118  1  0.095757  0.430043  0.456899  1
  Ni  Ni119  1  0.546679  0.216582  0.413514  1
  Ni  Ni120  1  0.469963  0.470011  0.442169  1
  Ni  Ni121  1  0.840574  0.511059  0.427544  1
  Ni  Ni122  1  0.176684  0.174950  0.427550  1
  Ni  Ni123  1  0.507551  0.841919  0.427957  1
  Ni  Ni124  1  0.882184  0.881073  0.413520  1
  Ni  Ni125  1  0.801760  0.136081  0.442362  1
  Ni  Ni126  1  0.135666  0.804307  0.442167  1
  Ni  Ni127  1  0.978031  0.312248  0.499610  1
  Ni  Ni128  1  0.430667  0.096587  0.456472  1
  Ni  Ni129  1  0.350824  0.352586  0.486091  1
  Ni  Ni130  1  0.724571  0.390489  0.471144  1
  Ni  Ni131  1  0.056221  0.058845  0.471139  1
  Ni  Ni132  1  0.389902  0.724166  0.471231  1
  Ni  Ni133  1  0.762282  0.764976  0.456469  1
  Ni  Ni134  1  0.683979  0.018223  0.485276  1
  Ni  Ni135  1  0.018354  0.685052  0.486095  1
  Ni  Ni136  1  0.859787  0.193875  0.544061  1
  Ni  Ni137  1  0.311879  0.979252  0.500556  1
  Ni  Ni138  1  0.234094  0.233192  0.529328  1
  Ni  Ni139  1  0.605513  0.273683  0.515056  1
  Ni  Ni140  1  0.939518  0.939674  0.515060  1
  Ni  Ni141  1  0.271920  0.606100  0.514176  1
  Ni  Ni142  1  0.645059  0.646072  0.500555  1
  Ni  Ni143  1  0.566054  0.900186  0.529240  1
  Ni  Ni144  1  0.899060  0.568232  0.529323  1
  Ni  Ni145  1  0.741520  0.075529  0.586704  1
  Ni  Ni146  1  0.192994  0.862375  0.543847  1
  Ni  Ni147  1  0.114348  0.117338  0.572661  1
  Ni  Ni148  1  0.488274  0.155094  0.558153  1
  Ni  Ni149  1  0.821019  0.822346  0.558151  1
  Ni  Ni150  1  0.153590  0.487640  0.558418  1
  Ni  Ni151  1  0.528264  0.527099  0.543851  1
  Ni  Ni152  1  0.447577  0.781600  0.573139  1
  Ni  Ni153  1  0.783304  0.448382  0.572668  1
  Ni  Ni154  1  0.624839  0.958745  0.630833  1
  Ni  Ni155  1  0.077299  0.742100  0.587109  1
  Ni  Ni156  1  0.998056  0.997934  0.617469  1
  Ni  Ni157  1  0.370138  0.036445  0.601602  1
  Ni  Ni158  1  0.702491  0.704095  0.601599  1
  Ni  Ni159  1  0.035284  0.369270  0.600248  1
  Ni  Ni160  1  0.408104  0.411296  0.587102  1
  Ni  Ni161  1  0.329212  0.663160  0.614054  1
  Ni  Ni162  1  0.664017  0.331979  0.617466  1
  Ni  Ni163  1  0.502046  0.835824  0.676427  1
  Ni  Ni164  1  0.956487  0.627791  0.631622  1
  Ni  Ni165  1  0.878962  0.879851  0.659685  1
  Ni  Ni166  1  0.249076  0.922661  0.646440  1
  Ni  Ni167  1  0.588775  0.582948  0.646447  1
  Ni  Ni168  1  0.917128  0.250976  0.646568  1
  Ni  Ni169  1  0.293881  0.290386  0.631629  1
  Ni  Ni170  1  0.211115  0.544894  0.660456  1
  Ni  Ni171  1  0.546029  0.212794  0.659686  1
  Ni  Ni172  1  0.384215  0.717950  0.711238  1
  Ni  Ni173  1  0.845247  0.506243  0.673957  1
  Ni  Ni174  1  0.757991  0.759257  0.700577  1
  Ni  Ni175  1  0.142829  0.793381  0.687532  1
  Ni  Ni176  1  0.459622  0.476579  0.687524  1
  Ni  Ni177  1  0.795483  0.129242  0.686509  1
  Ni  Ni178  1  0.172429  0.179051  0.673949  1
  Ni  Ni179  1  0.088369  0.422075  0.698879  1
  Ni  Ni180  1  0.425579  0.091638  0.700583  1
