# generated using pymatgen
data_AlNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.00300625
_cell_length_b   9.00089123
_cell_length_c   46.68988509
_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   3764.55344819
_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  0.791827  0.125647  0.334922  1
  Al  Al2  1  0.221917  0.886083  0.278814  1
  Al  Al3  1  0.185813  0.186984  0.295533  1
  Al  Al4  1  0.552244  0.555756  0.278814  1
  Al  Al5  1  0.521251  0.855097  0.295436  1
  Al  Al6  1  0.486970  0.153717  0.314292  1
  Al  Al7  1  0.853140  0.519647  0.295531  1
  Al  Al8  1  0.819879  0.820803  0.314292  1
  Al  Al9  1  0.153113  0.486949  0.314639  1
  Al  Al10  1  0.699285  0.033073  0.388783  1
  Al  Al11  1  0.125761  0.793365  0.334388  1
  Al  Al12  1  0.093633  0.094602  0.351893  1
  Al  Al13  1  0.459542  0.459583  0.334388  1
  Al  Al14  1  0.426926  0.760734  0.351992  1
  Al  Al15  1  0.397011  0.064241  0.370346  1
  Al  Al16  1  0.760794  0.427444  0.351894  1
  Al  Al17  1  0.730442  0.730811  0.370346  1
  Al  Al18  1  0.063225  0.397027  0.369897  1
  Al  Al19  1  0.607258  0.941014  0.444785  1
  Al  Al20  1  0.032569  0.699397  0.388825  1
  Al  Al21  1  1.001926  1.002326  0.407614  1
  Al  Al22  1  0.365609  0.366359  0.388826  1
  Al  Al23  1  0.335163  0.668941  0.407521  1
  Al  Al24  1  0.304692  0.972164  0.426257  1
  Al  Al25  1  0.668551  0.335702  0.407614  1
  Al  Al26  1  0.638397  0.638460  0.426258  1
  Al  Al27  1  0.971584  0.305351  0.426367  1
  Al  Al28  1  0.514858  0.848583  0.500503  1
  Al  Al29  1  0.940654  0.607546  0.444733  1
  Al  Al30  1  0.909800  0.910150  0.463365  1
  Al  Al31  1  0.273788  0.274411  0.444732  1
  Al  Al32  1  0.243034  0.576780  0.463308  1
  Al  Al33  1  0.212336  0.879254  0.481936  1
  Al  Al34  1  0.576404  0.243545  0.463364  1
  Al  Al35  1  0.545518  0.546071  0.481936  1
  Al  Al36  1  0.878939  0.212674  0.481976  1
  Al  Al37  1  0.422610  0.756301  0.556404  1
  Al  Al38  1  0.848286  0.515309  0.500586  1
  Al  Al39  1  0.817659  0.817851  0.519161  1
  Al  Al40  1  0.181585  0.182010  0.500586  1
  Al  Al41  1  0.150889  0.484603  0.519183  1
  Al  Al42  1  0.120169  0.787144  0.537804  1
  Al  Al43  1  0.484137  0.151373  0.519161  1
  Al  Al44  1  0.453441  0.453873  0.537804  1
  Al  Al45  1  0.786740  0.120444  0.537763  1
  Al  Al46  1  0.330783  0.664441  0.612250  1
  Al  Al47  1  0.755861  0.423076  0.556388  1
  Al  Al48  1  0.724728  0.725359  0.574767  1
  Al  Al49  1  0.089384  0.089553  0.556389  1
  Al  Al50  1  0.058258  0.391939  0.574915  1
  Al  Al51  1  0.028065  0.694902  0.593554  1
  Al  Al52  1  0.391677  0.058410  0.574767  1
  Al  Al53  1  0.361229  0.361738  0.593554  1
  Al  Al54  1  0.694556  0.028231  0.593455  1
  Al  Al55  1  0.236799  0.570420  0.666745  1
  Al  Al56  1  0.663798  0.331138  0.612326  1
  Al  Al57  1  0.633267  0.633754  0.631173  1
  Al  Al58  1  0.997478  0.997457  0.612325  1
  Al  Al59  1  0.966136  0.299788  0.630728  1
  Al  Al60  1  0.936007  0.603463  0.649177  1
  Al  Al61  1  0.300106  0.966916  0.631173  1
  Al  Al62  1  0.269823  0.269650  0.649179  1
  Al  Al63  1  0.602319  0.935959  0.649114  1
  Al  Al64  1  0.143222  0.476828  0.721851  1
  Al  Al65  1  0.571120  0.238041  0.666096  1
  Al  Al66  1  0.543572  0.543467  0.686502  1
  Al  Al67  1  0.904418  0.904744  0.666095  1
  Al  Al68  1  0.876717  0.210333  0.686823  1
  Al  Al69  1  0.842220  0.509995  0.705540  1
  Al  Al70  1  0.209849  0.877184  0.686502  1
  Al  Al71  1  0.176374  0.175827  0.705538  1
  Al  Al72  1  0.510895  0.844514  0.705309  1
  Ni  Ni73  1  0.970592  0.304422  0.323893  1
  Ni  Ni74  1  0.307177  0.973545  0.324951  1
  Ni  Ni75  1  0.373208  0.374841  0.289188  1
  Ni  Ni76  1  0.639720  0.641000  0.324950  1
  Ni  Ni77  1  0.712432  0.046287  0.289054  1
  Ni  Ni78  1  0.670751  0.335381  0.306152  1
  Ni  Ni79  1  0.040981  0.707066  0.289187  1
  Ni  Ni80  1  1.001535  0.004595  0.306148  1
  Ni  Ni81  1  0.335678  0.669513  0.306437  1
  Ni  Ni82  1  0.882344  0.216133  0.380279  1
  Ni  Ni83  1  0.215119  0.882835  0.380026  1
  Ni  Ni84  1  0.276492  0.275581  0.342344  1
  Ni  Ni85  1  0.549043  0.548913  0.380027  1
  Ni  Ni86  1  0.608371  0.942190  0.342448  1
  Ni  Ni87  1  0.577399  0.245589  0.361171  1
  Ni  Ni88  1  0.941762  0.610308  0.342343  1
  Ni  Ni89  1  0.911787  0.911204  0.361171  1
  Ni  Ni90  1  0.244532  0.578337  0.361042  1
  Ni  Ni91  1  0.789185  0.122945  0.435417  1
  Ni  Ni92  1  0.122578  0.789601  0.435398  1
  Ni  Ni93  1  0.183501  0.184782  0.398227  1
  Ni  Ni94  1  0.455840  0.456340  0.435398  1
  Ni  Ni95  1  0.517370  0.851152  0.398352  1
  Ni  Ni96  1  0.486769  0.153834  0.416828  1
  Ni  Ni97  1  0.850998  0.517286  0.398228  1
  Ni  Ni98  1  0.820061  0.820541  0.416828  1
  Ni  Ni99  1  0.153109  0.486883  0.416674  1
  Ni  Ni100  1  0.696935  0.030664  0.491280  1
  Ni  Ni101  1  0.030363  0.697277  0.491261  1
  Ni  Ni102  1  0.091847  0.092222  0.454137  1
  Ni  Ni103  1  0.363547  0.364093  0.491260  1
  Ni  Ni104  1  0.425104  0.758856  0.454026  1
  Ni  Ni105  1  0.394337  0.061628  0.472691  1
  Ni  Ni106  1  0.758472  0.425597  0.454137  1
  Ni  Ni107  1  0.727888  0.728078  0.472692  1
  Ni  Ni108  1  0.061144  0.394884  0.472745  1
  Ni  Ni109  1  0.604642  0.938341  0.546935  1
  Ni  Ni110  1  0.938121  0.605011  0.547046  1
  Ni  Ni111  1  0.999652  0.999896  0.509870  1
  Ni  Ni112  1  0.271313  0.271818  0.547046  1
  Ni  Ni113  1  0.332869  0.666588  0.509867  1
  Ni  Ni114  1  0.302097  0.968980  0.528382  1
  Ni  Ni115  1  0.666177  0.333371  0.509870  1
  Ni  Ni116  1  0.635271  0.635805  0.528382  1
  Ni  Ni117  1  0.968731  0.302438  0.528462  1
  Ni  Ni118  1  0.512560  0.846224  0.602920  1
  Ni  Ni119  1  0.845457  0.513320  0.602879  1
  Ni  Ni120  1  0.907359  0.907587  0.565713  1
  Ni  Ni121  1  0.179655  0.179124  0.602880  1
  Ni  Ni122  1  0.240569  0.574258  0.565705  1
  Ni  Ni123  1  0.210001  0.877032  0.584432  1
  Ni  Ni124  1  0.573899  0.241048  0.565713  1
  Ni  Ni125  1  0.543358  0.543676  0.584432  1
  Ni  Ni126  1  0.876362  0.210039  0.584293  1
  Ni  Ni127  1  0.420166  0.753800  0.658728  1
  Ni  Ni128  1  0.755163  0.420878  0.658655  1
  Ni  Ni129  1  0.813957  0.814703  0.620816  1
  Ni  Ni130  1  0.087245  0.088793  0.658654  1
  Ni  Ni131  1  0.147780  0.481436  0.621140  1
  Ni  Ni132  1  0.119540  0.785168  0.639940  1
  Ni  Ni133  1  0.481044  0.147618  0.620816  1
  Ni  Ni134  1  0.451527  0.453180  0.639940  1
  Ni  Ni135  1  0.785373  0.119016  0.639819  1
  Ni  Ni136  1  0.323086  0.656676  0.711651  1
  Ni  Ni137  1  0.650701  0.318490  0.711715  1
  Ni  Ni138  1  0.725964  0.725528  0.677117  1
  Ni  Ni139  1  0.984893  0.984294  0.711715  1
  Ni  Ni140  1  0.055966  0.389597  0.676046  1
  Ni  Ni141  1  0.025245  0.695955  0.694903  1
  Ni  Ni142  1  0.391902  0.059587  0.677116  1
  Ni  Ni143  1  0.362357  0.358846  0.694906  1
  Ni  Ni144  1  0.693794  0.027385  0.694655  1
