# generated using pymatgen
data_AlNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.96865150
_cell_length_b   8.96728537
_cell_length_c   46.69885586
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   84.26082953
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlNi
_chemical_formula_sum   'Al72 Ni72'
_cell_volume   3736.90431217
_cell_formula_units_Z   72
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  0.976214  0.310108  0.321321  1
  Al  Al2  1  0.314343  0.975820  0.326710  1
  Al  Al3  1  0.368448  0.368811  0.286321  1
  Al  Al4  1  0.641938  0.648215  0.326710  1
  Al  Al5  1  0.692471  0.026350  0.286857  1
  Al  Al6  1  0.674396  0.334715  0.304055  1
  Al  Al7  1  0.034942  0.702314  0.286321  1
  Al  Al8  1  1.000820  0.008280  0.304054  1
  Al  Al9  1  0.335936  0.669818  0.305827  1
  Al  Al10  1  0.883743  0.217602  0.378097  1
  Al  Al11  1  0.214981  0.885624  0.378963  1
  Al  Al12  1  0.281081  0.281264  0.342425  1
  Al  Al13  1  0.551764  0.548843  0.378964  1
  Al  Al14  1  0.612376  0.946249  0.343061  1
  Al  Al15  1  0.582569  0.249215  0.360026  1
  Al  Al16  1  0.947394  0.614946  0.342423  1
  Al  Al17  1  0.915348  0.916435  0.360024  1
  Al  Al18  1  0.247663  0.581533  0.360036  1
  Al  Al19  1  0.791588  0.125426  0.434939  1
  Al  Al20  1  0.125058  0.792264  0.434688  1
  Al  Al21  1  0.184941  0.187649  0.397090  1
  Al  Al22  1  0.458426  0.458899  0.434688  1
  Al  Al23  1  0.519603  0.853451  0.397781  1
  Al  Al24  1  0.489782  0.157223  0.416563  1
  Al  Al25  1  0.853798  0.518795  0.397090  1
  Al  Al26  1  0.823379  0.823623  0.416563  1
  Al  Al27  1  0.155057  0.488906  0.415588  1
  Al  Al28  1  0.698075  0.031893  0.490530  1
  Al  Al29  1  0.032069  0.698468  0.490550  1
  Al  Al30  1  0.093603  0.094459  0.453288  1
  Al  Al31  1  0.364650  0.365886  0.490550  1
  Al  Al32  1  0.426859  0.760692  0.453169  1
  Al  Al33  1  0.395660  0.063463  0.471931  1
  Al  Al34  1  0.760628  0.427434  0.453289  1
  Al  Al35  1  0.729638  0.729485  0.471931  1
  Al  Al36  1  0.062391  0.396215  0.471812  1
  Al  Al37  1  0.605041  0.938840  0.546406  1
  Al  Al38  1  0.938521  0.605972  0.546509  1
  Al  Al39  1  1.001253  1.001003  0.509248  1
  Al  Al40  1  0.272176  0.272317  0.546510  1
  Al  Al41  1  0.333883  0.667694  0.509162  1
  Al  Al42  1  0.303479  0.970041  0.527906  1
  Al  Al43  1  0.667192  0.335063  0.509248  1
  Al  Al44  1  0.636236  0.637284  0.527905  1
  Al  Al45  1  0.969553  0.303357  0.527788  1
  Al  Al46  1  0.512824  0.846600  0.602707  1
  Al  Al47  1  0.845443  0.514376  0.602303  1
  Al  Al48  1  0.907310  0.907874  0.564911  1
  Al  Al49  1  0.180598  0.179224  0.602303  1
  Al  Al50  1  0.240382  0.574171  0.564998  1
  Al  Al51  1  0.210395  0.877532  0.583919  1
  Al  Al52  1  0.574085  0.241101  0.564911  1
  Al  Al53  1  0.543751  0.544179  0.583919  1
  Al  Al54  1  0.875345  0.209133  0.582946  1
  Al  Al55  1  0.416432  0.750201  0.656700  1
  Al  Al56  1  0.752745  0.420355  0.656751  1
  Al  Al57  1  0.813422  0.817239  0.621451  1
  Al  Al58  1  0.086592  0.086501  0.656750  1
  Al  Al59  1  0.149028  0.482795  0.620395  1
  Al  Al60  1  0.117064  0.784532  0.639545  1
  Al  Al61  1  0.483473  0.147190  0.621452  1
  Al  Al62  1  0.450772  0.450825  0.639546  1
  Al  Al63  1  0.782984  0.116748  0.639605  1
  Al  Al64  1  0.326887  0.660654  0.713464  1
  Al  Al65  1  0.669627  0.337588  0.712651  1
  Al  Al66  1  0.725942  0.721052  0.677380  1
  Al  Al67  1  0.003824  1.003383  0.712652  1
  Al  Al68  1  0.054703  0.388455  0.671707  1
  Al  Al69  1  0.025494  0.698101  0.694883  1
  Al  Al70  1  0.387313  0.059675  0.677378  1
  Al  Al71  1  0.364360  0.359239  0.694884  1
  Al  Al72  1  0.693263  0.027007  0.695906  1
  Ni  Ni73  1  0.790802  0.124684  0.332002  1
  Ni  Ni74  1  0.229955  0.896115  0.283035  1
  Ni  Ni75  1  0.202702  0.174560  0.298173  1
  Ni  Ni76  1  0.562215  0.563865  0.283034  1
  Ni  Ni77  1  0.514403  0.848299  0.298171  1
  Ni  Ni78  1  0.487424  0.155126  0.314259  1
  Ni  Ni79  1  0.840654  0.536613  0.298170  1
  Ni  Ni80  1  0.821243  0.821295  0.314257  1
  Ni  Ni81  1  0.154448  0.488311  0.314139  1
  Ni  Ni82  1  0.703030  0.036882  0.388662  1
  Ni  Ni83  1  0.125248  0.799078  0.331255  1
  Ni  Ni84  1  0.094316  0.100456  0.349521  1
  Ni  Ni85  1  0.465199  0.459120  0.331256  1
  Ni  Ni86  1  0.427989  0.761854  0.351827  1
  Ni  Ni87  1  0.402093  0.070268  0.371044  1
  Ni  Ni88  1  0.766583  0.428187  0.349523  1
  Ni  Ni89  1  0.736410  0.735952  0.371042  1
  Ni  Ni90  1  0.064227  0.398088  0.368272  1
  Ni  Ni91  1  0.609196  0.943029  0.444149  1
  Ni  Ni92  1  0.034960  0.703935  0.388315  1
  Ni  Ni93  1  1.002908  0.006554  0.406679  1
  Ni  Ni94  1  0.370078  0.368820  0.388317  1
  Ni  Ni95  1  0.337356  0.671209  0.406335  1
  Ni  Ni96  1  0.306454  0.975604  0.425236  1
  Ni  Ni97  1  0.672707  0.336760  0.406680  1
  Ni  Ni98  1  0.641763  0.640296  0.425237  1
  Ni  Ni99  1  0.972650  0.306492  0.425065  1
  Ni  Ni100  1  0.515913  0.849729  0.499735  1
  Ni  Ni101  1  0.943075  0.608976  0.443823  1
  Ni  Ni102  1  0.912216  0.912213  0.462926  1
  Ni  Ni103  1  0.275140  0.276910  0.443822  1
  Ni  Ni104  1  0.244379  0.578209  0.462343  1
  Ni  Ni105  1  0.214117  0.881167  0.481253  1
  Ni  Ni106  1  0.578386  0.246045  0.462926  1
  Ni  Ni107  1  0.547345  0.547939  0.481253  1
  Ni  Ni108  1  0.880348  0.214167  0.481420  1
  Ni  Ni109  1  0.422959  0.756751  0.555988  1
  Ni  Ni110  1  0.849625  0.516729  0.499930  1
  Ni  Ni111  1  0.818667  0.818939  0.518386  1
  Ni  Ni112  1  0.182915  0.183439  0.499930  1
  Ni  Ni113  1  0.151362  0.485168  0.518490  1
  Ni  Ni114  1  0.121253  0.788027  0.537235  1
  Ni  Ni115  1  0.485130  0.152475  0.518386  1
  Ni  Ni116  1  0.454228  0.455054  0.537235  1
  Ni  Ni117  1  0.786760  0.120561  0.536707  1
  Ni  Ni118  1  0.329242  0.663011  0.611107  1
  Ni  Ni119  1  0.756030  0.424262  0.555788  1
  Ni  Ni120  1  0.725314  0.727214  0.574646  1
  Ni  Ni121  1  0.090466  0.089825  0.555789  1
  Ni  Ni122  1  0.057663  0.391452  0.574409  1
  Ni  Ni123  1  0.026588  0.696820  0.593196  1
  Ni  Ni124  1  0.393427  0.059102  0.574647  1
  Ni  Ni125  1  0.363046  0.360367  0.593197  1
  Ni  Ni126  1  0.694154  0.027933  0.592954  1
  Ni  Ni127  1  0.236317  0.570066  0.668341  1
  Ni  Ni128  1  0.663542  0.328925  0.611170  1
  Ni  Ni129  1  0.633496  0.634911  0.630847  1
  Ni  Ni130  1  0.995149  0.997314  0.611169  1
  Ni  Ni131  1  0.961860  0.295632  0.628144  1
  Ni  Ni132  1  0.933818  0.607060  0.649042  1
  Ni  Ni133  1  0.301138  0.967269  0.630845  1
  Ni  Ni134  1  0.273301  0.267574  0.649043  1
  Ni  Ni135  1  0.600115  0.933861  0.650739  1
  Ni  Ni136  1  0.133191  0.466919  0.715961  1
  Ni  Ni137  1  0.576228  0.239346  0.667604  1
  Ni  Ni138  1  0.542389  0.545952  0.685183  1
  Ni  Ni139  1  0.905595  0.909978  0.667603  1
  Ni  Ni140  1  0.878081  0.211836  0.685164  1
  Ni  Ni141  1  0.861601  0.498050  0.701193  1
  Ni  Ni142  1  0.212184  0.876150  0.685183  1
  Ni  Ni143  1  0.164330  0.195321  0.701190  1
  Ni  Ni144  1  0.503552  0.837266  0.700453  1
