# generated using pymatgen
data_AlNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.07903503
_cell_length_b   10.27540496
_cell_length_c   45.70804662
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   113.09346927
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlNi
_chemical_formula_sum   'Al66 Ni66'
_cell_volume   3490.40455111
_cell_formula_units_Z   66
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  0.972947  0.998702  0.296254  1
  Al  Al2  1  0.487625  0.998659  0.296249  1
  Al  Al3  1  0.407095  0.352253  0.284238  1
  Al  Al4  1  0.551449  0.641234  0.308373  1
  Al  Al5  1  0.910645  0.359291  0.284256  1
  Al  Al6  1  0.045604  0.629547  0.309957  1
  Al  Al7  1  0.682139  0.902714  0.335738  1
  Al  Al8  1  0.183241  0.904969  0.338960  1
  Al  Al9  1  0.117817  0.267621  0.323266  1
  Al  Al10  1  0.251066  0.541739  0.350718  1
  Al  Al11  1  0.611456  0.267596  0.323247  1
  Al  Al12  1  0.752128  0.541789  0.350714  1
  Al  Al13  1  0.387170  0.813923  0.376796  1
  Al  Al14  1  0.887998  0.813944  0.376803  1
  Al  Al15  1  0.819915  0.178472  0.364531  1
  Al  Al16  1  0.955263  0.449414  0.390256  1
  Al  Al17  1  0.319674  0.178015  0.363461  1
  Al  Al18  1  0.455989  0.450816  0.389948  1
  Al  Al19  1  0.091612  0.722311  0.417128  1
  Al  Al20  1  0.591889  0.722837  0.416748  1
  Al  Al21  1  0.524616  0.086434  0.403520  1
  Al  Al22  1  0.659394  0.358885  0.430315  1
  Al  Al23  1  0.022828  0.086394  0.403536  1
  Al  Al24  1  0.160326  0.358911  0.430385  1
  Al  Al25  1  0.796049  0.631429  0.457194  1
  Al  Al26  1  0.295914  0.631264  0.457155  1
  Al  Al27  1  0.228145  0.995551  0.444053  1
  Al  Al28  1  0.363959  0.267600  0.470432  1
  Al  Al29  1  0.727654  0.994612  0.443575  1
  Al  Al30  1  0.864231  0.267761  0.470724  1
  Al  Al31  1  0.500349  0.540155  0.497201  1
  Al  Al32  1  0.999977  0.539888  0.497282  1
  Al  Al33  1  0.932104  0.903832  0.483906  1
  Al  Al34  1  0.068080  0.176200  0.510745  1
  Al  Al35  1  0.432133  0.903831  0.483829  1
  Al  Al36  1  0.568447  0.176456  0.510679  1
  Al  Al37  1  0.204456  0.448730  0.537561  1
  Al  Al38  1  0.704168  0.448533  0.537269  1
  Al  Al39  1  0.636279  0.812435  0.523944  1
  Al  Al40  1  0.772397  0.084986  0.550696  1
  Al  Al41  1  0.136250  0.812434  0.524026  1
  Al  Al42  1  0.272559  0.085158  0.550735  1
  Al  Al43  1  0.909131  0.357663  0.577634  1
  Al  Al44  1  0.408201  0.357642  0.577560  1
  Al  Al45  1  0.340127  0.720484  0.563861  1
  Al  Al46  1  0.476706  0.993830  0.590758  1
  Al  Al47  1  0.840633  0.721467  0.564327  1
  Al  Al48  1  0.976474  0.993385  0.591103  1
  Al  Al49  1  0.613363  0.267325  0.617977  1
  Al  Al50  1  0.112593  0.265847  0.618240  1
  Al  Al51  1  0.043765  0.629863  0.604357  1
  Al  Al52  1  0.181241  0.902392  0.630866  1
  Al  Al53  1  0.545590  0.629906  0.604337  1
  Al  Al54  1  0.680395  0.902369  0.630858  1
  Al  Al55  1  0.317714  0.174960  0.656714  1
  Al  Al56  1  0.816285  0.174900  0.656716  1
  Al  Al57  1  0.748274  0.537388  0.643610  1
  Al  Al58  1  0.886209  0.813512  0.671861  1
  Al  Al59  1  0.248392  0.537594  0.644725  1
  Al  Al60  1  0.385438  0.811914  0.668729  1
  Al  Al61  1  0.014642  0.070590  0.699059  1
  Al  Al62  1  0.522820  0.086950  0.697782  1
  Al  Al63  1  0.449456  0.449268  0.684981  1
  Al  Al64  1  0.598760  0.722104  0.710927  1
  Al  Al65  1  0.958791  0.449306  0.685007  1
  Al  Al66  1  0.082000  0.722151  0.710933  1
  Ni  Ni67  1  0.293276  0.124781  0.311314  1
  Ni  Ni68  1  0.799388  0.136994  0.312715  1
  Ni  Ni69  1  0.727129  0.497490  0.298944  1
  Ni  Ni70  1  0.162846  0.863605  0.287566  1
  Ni  Ni71  1  0.232198  0.497496  0.298947  1
  Ni  Ni72  1  0.359879  0.768168  0.323710  1
  Ni  Ni73  1  0.999577  0.041503  0.350094  1
  Ni  Ni74  1  0.503383  0.041504  0.350085  1
  Ni  Ni75  1  0.435470  0.409321  0.336676  1
  Ni  Ni76  1  0.869939  0.768204  0.323707  1
  Ni  Ni77  1  0.932321  0.403124  0.337237  1
  Ni  Ni78  1  0.068671  0.676013  0.363745  1
  Ni  Ni79  1  0.704993  0.948869  0.389678  1
  Ni  Ni80  1  0.206038  0.950936  0.391112  1
  Ni  Ni81  1  0.138268  0.313819  0.376752  1
  Ni  Ni82  1  0.569646  0.677956  0.362996  1
  Ni  Ni83  1  0.636793  0.313824  0.376713  1
  Ni  Ni84  1  0.774057  0.586613  0.403794  1
  Ni  Ni85  1  0.409558  0.858851  0.430314  1
  Ni  Ni86  1  0.910130  0.858872  0.430346  1
  Ni  Ni87  1  0.842062  0.223120  0.417511  1
  Ni  Ni88  1  0.273556  0.586545  0.403789  1
  Ni  Ni89  1  0.341688  0.222522  0.416862  1
  Ni  Ni90  1  0.478199  0.495498  0.443603  1
  Ni  Ni91  1  0.113993  0.767458  0.470602  1
  Ni  Ni92  1  0.614042  0.767594  0.470397  1
  Ni  Ni93  1  0.546655  0.131545  0.457118  1
  Ni  Ni94  1  0.977605  0.494667  0.443777  1
  Ni  Ni95  1  0.045427  0.131390  0.457150  1
  Ni  Ni96  1  0.182297  0.403816  0.483995  1
  Ni  Ni97  1  0.818330  0.676360  0.510705  1
  Ni  Ni98  1  0.318067  0.676033  0.510545  1
  Ni  Ni99  1  0.250321  0.040235  0.497363  1
  Ni  Ni100  1  0.681881  0.403732  0.483832  1
  Ni  Ni101  1  0.750046  0.039899  0.497200  1
  Ni  Ni102  1  0.886600  0.312706  0.524126  1
  Ni  Ni103  1  0.523024  0.584979  0.550744  1
  Ni  Ni104  1  0.021766  0.584821  0.550785  1
  Ni  Ni105  1  0.954297  0.948587  0.537474  1
  Ni  Ni106  1  0.386170  0.312635  0.523959  1
  Ni  Ni107  1  0.454330  0.948687  0.537285  1
  Ni  Ni108  1  0.590859  0.221757  0.564284  1
  Ni  Ni109  1  0.226646  0.493650  0.591239  1
  Ni  Ni110  1  0.726288  0.493080  0.590570  1
  Ni  Ni111  1  0.658196  0.857307  0.577431  1
  Ni  Ni112  1  0.090276  0.220958  0.564427  1
  Ni  Ni113  1  0.158796  0.857324  0.577465  1
  Ni  Ni114  1  0.295101  0.130175  0.604022  1
  Ni  Ni115  1  0.932054  0.403379  0.631163  1
  Ni  Ni116  1  0.430609  0.403385  0.631118  1
  Ni  Ni117  1  0.361989  0.764626  0.616793  1
  Ni  Ni118  1  0.794507  0.130098  0.604017  1
  Ni  Ni119  1  0.863111  0.766850  0.618186  1
  Ni  Ni120  1  0.998629  0.038098  0.644690  1
  Ni  Ni121  1  0.636667  0.314303  0.671605  1
  Ni  Ni122  1  0.132567  0.306256  0.672095  1
  Ni  Ni123  1  0.065336  0.675061  0.657569  1
  Ni  Ni124  1  0.499625  0.040094  0.644039  1
  Ni  Ni125  1  0.568769  0.675063  0.657558  1
  Ni  Ni126  1  0.697858  0.948323  0.683596  1
  Ni  Ni127  1  0.333963  0.217559  0.708126  1
  Ni  Ni128  1  0.842019  0.217561  0.708125  1
  Ni  Ni129  1  0.768591  0.578410  0.695293  1
  Ni  Ni130  1  0.209278  0.948355  0.683594  1
  Ni  Ni131  1  0.275854  0.592918  0.696729  1
  Ni  Ni132  1  0.405873  0.853317  0.720031  1
