# generated using pymatgen
data_AlNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.97098182
_cell_length_b   8.96028160
_cell_length_c   47.19779656
_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   3774.86093253
_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  0.977311  0.312440  0.314721  1
  Al  Al2  1  0.319787  0.983364  0.322983  1
  Al  Al3  1  0.376639  0.379038  0.279192  1
  Al  Al4  1  0.648373  0.654795  0.322975  1
  Al  Al5  1  0.700819  0.035842  0.280004  1
  Al  Al6  1  0.685846  0.339207  0.296586  1
  Al  Al7  1  0.044054  0.711588  0.279197  1
  Al  Al8  1  0.004147  0.020920  0.296555  1
  Al  Al9  1  0.340067  0.675104  0.299795  1
  Al  Al10  1  0.885187  0.220004  0.374908  1
  Al  Al11  1  0.216525  0.890699  0.374454  1
  Al  Al12  1  0.286214  0.284917  0.338949  1
  Al  Al13  1  0.555875  0.551393  0.374466  1
  Al  Al14  1  0.615014  0.949954  0.339199  1
  Al  Al15  1  0.585356  0.252956  0.356627  1
  Al  Al16  1  0.950002  0.621089  0.338925  1
  Al  Al17  1  0.918093  0.920235  0.356631  1
  Al  Al18  1  0.249258  0.584179  0.355764  1
  Al  Al19  1  0.792434  0.127082  0.431040  1
  Al  Al20  1  0.126902  0.794091  0.430627  1
  Al  Al21  1  0.185180  0.191500  0.392901  1
  Al  Al22  1  0.459439  0.461570  0.430629  1
  Al  Al23  1  0.520640  0.855346  0.394023  1
  Al  Al24  1  0.491440  0.159947  0.412976  1
  Al  Al25  1  0.856740  0.519955  0.392913  1
  Al  Al26  1  0.825254  0.826124  0.412973  1
  Al  Al27  1  0.155704  0.490434  0.411250  1
  Al  Al28  1  0.698409  0.032886  0.485986  1
  Al  Al29  1  0.033056  0.699418  0.486059  1
  Al  Al30  1  0.094903  0.096445  0.449290  1
  Al  Al31  1  0.364932  0.367537  0.486054  1
  Al  Al32  1  0.427264  0.761886  0.448513  1
  Al  Al33  1  0.395866  0.065595  0.467396  1
  Al  Al34  1  0.761870  0.429474  0.449292  1
  Al  Al35  1  0.731062  0.730414  0.467405  1
  Al  Al36  1  0.063045  0.397568  0.467642  1
  Al  Al37  1  0.604400  0.938745  0.541101  1
  Al  Al38  1  0.938996  0.606522  0.541836  1
  Al  Al39  1  1.002221  1.001872  0.504779  1
  Al  Al40  1  0.272221  0.273287  0.541836  1
  Al  Al41  1  0.334100  0.668520  0.504538  1
  Al  Al42  1  0.304167  0.970397  0.523092  1
  Al  Al43  1  0.667451  0.336640  0.504775  1
  Al  Al44  1  0.636016  0.638532  0.523085  1
  Al  Al45  1  0.969724  0.304077  0.523415  1
  Al  Al46  1  0.511791  0.845910  0.597828  1
  Al  Al47  1  0.843796  0.515676  0.597322  1
  Al  Al48  1  0.907799  0.907793  0.559764  1
  Al  Al49  1  0.181510  0.177978  0.597333  1
  Al  Al50  1  0.239619  0.573861  0.559978  1
  Al  Al51  1  0.210705  0.877923  0.578970  1
  Al  Al52  1  0.573551  0.242056  0.559765  1
  Al  Al53  1  0.543738  0.544894  0.578972  1
  Al  Al54  1  0.874448  0.208671  0.577442  1
  Al  Al55  1  0.412843  0.746878  0.651247  1
  Al  Al56  1  0.751088  0.417327  0.651321  1
  Al  Al57  1  0.812041  0.817239  0.615804  1
  Al  Al58  1  0.083315  0.085052  0.651300  1
  Al  Al59  1  0.146793  0.480834  0.616396  1
  Al  Al60  1  0.116839  0.783087  0.634277  1
  Al  Al61  1  0.483183  0.146131  0.615816  1
  Al  Al62  1  0.449084  0.450833  0.634271  1
  Al  Al63  1  0.780503  0.114546  0.633504  1
  Al  Al64  1  0.318523  0.652487  0.711742  1
  Al  Al65  1  0.660997  0.327849  0.710197  1
  Al  Al66  1  0.724046  0.719777  0.674316  1
  Al  Al67  1  0.993904  0.994873  0.710203  1
  Al  Al68  1  0.049152  0.383076  0.666584  1
  Al  Al69  1  0.014034  0.697437  0.693076  1
  Al  Al70  1  0.385966  0.057877  0.674301  1
  Al  Al71  1  0.363599  0.347852  0.693109  1
  Al  Al72  1  0.684720  0.018567  0.694010  1
  Ni  Ni73  1  0.795403  0.130329  0.328567  1
  Ni  Ni74  1  0.246499  0.910540  0.277634  1
  Ni  Ni75  1  0.210874  0.187906  0.293919  1
  Ni  Ni76  1  0.575352  0.581617  0.277632  1
  Ni  Ni77  1  0.524275  0.859454  0.293979  1
  Ni  Ni78  1  0.495564  0.163968  0.310102  1
  Ni  Ni79  1  0.852687  0.546049  0.293892  1
  Ni  Ni80  1  0.828989  0.830615  0.310107  1
  Ni  Ni81  1  0.159128  0.494033  0.310106  1
  Ni  Ni82  1  0.703744  0.038532  0.385003  1
  Ni  Ni83  1  0.127288  0.805456  0.327285  1
  Ni  Ni84  1  0.094040  0.104871  0.345518  1
  Ni  Ni85  1  0.470458  0.462297  0.327296  1
  Ni  Ni86  1  0.429467  0.764347  0.347917  1
  Ni  Ni87  1  0.404713  0.072719  0.367707  1
  Ni  Ni88  1  0.769927  0.429010  0.345541  1
  Ni  Ni89  1  0.737933  0.739518  0.367697  1
  Ni  Ni90  1  0.064987  0.399859  0.363779  1
  Ni  Ni91  1  0.609774  0.944374  0.440022  1
  Ni  Ni92  1  0.037819  0.706822  0.384700  1
  Ni  Ni93  1  0.005681  0.008181  0.403104  1
  Ni  Ni94  1  0.372053  0.372646  0.384710  1
  Ni  Ni95  1  0.338387  0.673160  0.402039  1
  Ni  Ni96  1  0.306669  0.978117  0.420969  1
  Ni  Ni97  1  0.673445  0.340416  0.403103  1
  Ni  Ni98  1  0.643451  0.641351  0.420983  1
  Ni  Ni99  1  0.974072  0.308731  0.421406  1
  Ni  Ni100  1  0.516016  0.850494  0.494806  1
  Ni  Ni101  1  0.944812  0.610193  0.439564  1
  Ni  Ni102  1  0.913742  0.913831  0.458765  1
  Ni  Ni103  1  0.275562  0.279434  0.439554  1
  Ni  Ni104  1  0.244889  0.579470  0.457990  1
  Ni  Ni105  1  0.215237  0.882190  0.476835  1
  Ni  Ni106  1  0.579268  0.248302  0.458765  1
  Ni  Ni107  1  0.547681  0.549753  0.476831  1
  Ni  Ni108  1  0.881075  0.215564  0.477194  1
  Ni  Ni109  1  0.422650  0.756920  0.551142  1
  Ni  Ni110  1  0.850364  0.517955  0.495575  1
  Ni  Ni111  1  0.819334  0.819301  0.513629  1
  Ni  Ni112  1  0.183517  0.184799  0.495574  1
  Ni  Ni113  1  0.151610  0.485993  0.513848  1
  Ni  Ni114  1  0.121936  0.788424  0.532478  1
  Ni  Ni115  1  0.484899  0.153741  0.513624  1
  Ni  Ni116  1  0.454089  0.456262  0.532476  1
  Ni  Ni117  1  0.786475  0.120817  0.531834  1
  Ni  Ni118  1  0.327587  0.661693  0.605644  1
  Ni  Ni119  1  0.755777  0.425664  0.550966  1
  Ni  Ni120  1  0.724406  0.727790  0.569365  1
  Ni  Ni121  1  0.091376  0.090068  0.550975  1
  Ni  Ni122  1  0.057924  0.392145  0.569891  1
  Ni  Ni123  1  0.027539  0.695478  0.588101  1
  Ni  Ni124  1  0.393559  0.058651  0.569378  1
  Ni  Ni125  1  0.361336  0.361676  0.588098  1
  Ni  Ni126  1  0.693094  0.027273  0.587149  1
  Ni  Ni127  1  0.233358  0.567211  0.663861  1
  Ni  Ni128  1  0.662437  0.329547  0.605734  1
  Ni  Ni129  1  0.633508  0.635079  0.625986  1
  Ni  Ni130  1  0.995413  0.996523  0.605726  1
  Ni  Ni131  1  0.960817  0.294948  0.622471  1
  Ni  Ni132  1  0.931943  0.607932  0.644044  1
  Ni  Ni133  1  0.301020  0.967579  0.625975  1
  Ni  Ni134  1  0.273955  0.265951  0.644064  1
  Ni  Ni135  1  0.599100  0.933012  0.645224  1
  Ni  Ni136  1  0.122382  0.456141  0.712041  1
  Ni  Ni137  1  0.573271  0.234954  0.662038  1
  Ni  Ni138  1  0.536918  0.539271  0.680167  1
  Ni  Ni139  1  0.900989  0.907207  0.662029  1
  Ni  Ni140  1  0.870309  0.204176  0.679925  1
  Ni  Ni141  1  0.848996  0.491112  0.696447  1
  Ni  Ni142  1  0.205347  0.870915  0.680173  1
  Ni  Ni143  1  0.157383  0.182663  0.696422  1
  Ni  Ni144  1  0.494581  0.828323  0.696252  1
