# generated using pymatgen
data_AlNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.99982801
_cell_length_b   10.16434551
_cell_length_c   47.16714255
_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   'Al72 Ni72'
_cell_volume   3527.96528337
_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  0.960504  1.000167  0.285476  1
  Al  Al2  1  0.460504  1.000167  0.285476  1
  Al  Al3  1  0.383415  0.345583  0.273712  1
  Al  Al4  1  0.522981  0.625220  0.299461  1
  Al  Al5  1  0.883415  0.345583  0.273712  1
  Al  Al6  1  0.022981  0.625220  0.299461  1
  Al  Al7  1  0.658811  0.897107  0.327155  1
  Al  Al8  1  0.158811  0.897107  0.327155  1
  Al  Al9  1  0.091183  0.261700  0.312748  1
  Al  Al10  1  0.228666  0.537006  0.339002  1
  Al  Al11  1  0.591183  0.261700  0.312748  1
  Al  Al12  1  0.728666  0.537006  0.339002  1
  Al  Al13  1  0.363652  0.807322  0.364205  1
  Al  Al14  1  0.863652  0.807322  0.364205  1
  Al  Al15  1  0.795799  0.171422  0.352536  1
  Al  Al16  1  0.931456  0.443119  0.377311  1
  Al  Al17  1  0.295799  0.171422  0.352536  1
  Al  Al18  1  0.431456  0.443119  0.377311  1
  Al  Al19  1  0.067355  0.715305  0.403021  1
  Al  Al20  1  0.567355  0.715305  0.403021  1
  Al  Al21  1  0.499781  0.079981  0.390114  1
  Al  Al22  1  0.635714  0.352242  0.415775  1
  Al  Al23  1  0.999781  0.079981  0.390114  1
  Al  Al24  1  0.135714  0.352242  0.415775  1
  Al  Al25  1  0.771599  0.624389  0.441437  1
  Al  Al26  1  0.271599  0.624389  0.441437  1
  Al  Al27  1  0.203512  0.988004  0.428856  1
  Al  Al28  1  0.339607  0.260589  0.454483  1
  Al  Al29  1  0.703512  0.988004  0.428856  1
  Al  Al30  1  0.839607  0.260589  0.454483  1
  Al  Al31  1  0.475491  0.532746  0.480003  1
  Al  Al32  1  0.975491  0.532746  0.480003  1
  Al  Al33  1  0.907584  0.896743  0.467080  1
  Al  Al34  1  0.043617  0.169198  0.492821  1
  Al  Al35  1  0.407584  0.896743  0.467080  1
  Al  Al36  1  0.543617  0.169198  0.492821  1
  Al  Al37  1  0.179588  0.441529  0.518467  1
  Al  Al38  1  0.679588  0.441529  0.518467  1
  Al  Al39  1  0.611462  0.805078  0.505650  1
  Al  Al40  1  0.747495  0.077533  0.531391  1
  Al  Al41  1  0.111462  0.805078  0.505650  1
  Al  Al42  1  0.247495  0.077533  0.531391  1
  Al  Al43  1  0.883479  0.349886  0.557034  1
  Al  Al44  1  0.383479  0.349886  0.557034  1
  Al  Al45  1  0.315471  0.713687  0.543988  1
  Al  Al46  1  0.451567  0.986272  0.569615  1
  Al  Al47  1  0.815471  0.713687  0.543988  1
  Al  Al48  1  0.951567  0.986272  0.569615  1
  Al  Al49  1  0.587723  0.258971  0.595450  1
  Al  Al50  1  0.087723  0.258971  0.595450  1
  Al  Al51  1  0.019364  0.622034  0.582696  1
  Al  Al52  1  0.155297  0.894295  0.608357  1
  Al  Al53  1  0.519364  0.622034  0.582696  1
  Al  Al54  1  0.655297  0.894295  0.608357  1
  Al  Al55  1  0.291426  0.166954  0.634266  1
  Al  Al56  1  0.791426  0.166954  0.634266  1
  Al  Al57  1  0.723622  0.531157  0.621159  1
  Al  Al58  1  0.859280  0.802854  0.645935  1
  Al  Al59  1  0.223622  0.531157  0.621159  1
  Al  Al60  1  0.359280  0.802854  0.645935  1
  Al  Al61  1  0.996267  0.077169  0.671316  1
  Al  Al62  1  0.496267  0.077169  0.671316  1
  Al  Al63  1  0.426412  0.437270  0.659469  1
  Al  Al64  1  0.563895  0.712575  0.685722  1
  Al  Al65  1  0.926412  0.437270  0.659469  1
  Al  Al66  1  0.063895  0.712575  0.685722  1
  Al  Al67  1  0.694574  0.974109  0.712995  1
  Al  Al68  1  0.194574  0.974109  0.712995  1
  Al  Al69  1  0.132097  0.349056  0.699010  1
  Al  Al70  1  0.271663  0.628693  0.724759  1
  Al  Al71  1  0.632097  0.349056  0.699010  1
  Al  Al72  1  0.771663  0.628693  0.724759  1
  Ni  Ni73  1  0.271780  0.122839  0.302325  1
  Ni  Ni74  1  0.771780  0.122839  0.302325  1
  Ni  Ni75  1  0.706391  0.491781  0.288604  1
  Ni  Ni76  1  0.138943  0.856703  0.277091  1
  Ni  Ni77  1  0.206391  0.491781  0.288604  1
  Ni  Ni78  1  0.638943  0.856703  0.277091  1
  Ni  Ni79  1  0.977867  0.035353  0.338558  1
  Ni  Ni80  1  0.477867  0.035353  0.338558  1
  Ni  Ni81  1  0.409355  0.398202  0.325990  1
  Ni  Ni82  1  0.842968  0.765208  0.311940  1
  Ni  Ni83  1  0.909355  0.398202  0.325990  1
  Ni  Ni84  1  0.342968  0.765208  0.311940  1
  Ni  Ni85  1  0.681316  0.942874  0.377816  1
  Ni  Ni86  1  0.181316  0.942874  0.377816  1
  Ni  Ni87  1  0.113980  0.307973  0.364277  1
  Ni  Ni88  1  0.544941  0.669758  0.351660  1
  Ni  Ni89  1  0.613980  0.307973  0.364277  1
  Ni  Ni90  1  0.044941  0.669758  0.351660  1
  Ni  Ni91  1  0.385627  0.852028  0.415688  1
  Ni  Ni92  1  0.885627  0.852028  0.415688  1
  Ni  Ni93  1  0.817633  0.215896  0.403360  1
  Ni  Ni94  1  0.249734  0.579865  0.390125  1
  Ni  Ni95  1  0.317633  0.215896  0.403360  1
  Ni  Ni96  1  0.749734  0.579865  0.390125  1
  Ni  Ni97  1  0.089424  0.760237  0.454356  1
  Ni  Ni98  1  0.589424  0.760237  0.454356  1
  Ni  Ni99  1  0.521753  0.124676  0.441485  1
  Ni  Ni100  1  0.953465  0.487934  0.428680  1
  Ni  Ni101  1  0.021753  0.124676  0.441485  1
  Ni  Ni102  1  0.453465  0.487934  0.428680  1
  Ni  Ni103  1  0.793550  0.669055  0.492730  1
  Ni  Ni104  1  0.293550  0.669055  0.492730  1
  Ni  Ni105  1  0.225507  0.032790  0.480091  1
  Ni  Ni106  1  0.657642  0.396853  0.467143  1
  Ni  Ni107  1  0.725507  0.032790  0.480091  1
  Ni  Ni108  1  0.157642  0.396853  0.467143  1
  Ni  Ni109  1  0.497436  0.577423  0.531328  1
  Ni  Ni110  1  0.997436  0.577423  0.531328  1
  Ni  Ni111  1  0.929571  0.941486  0.518380  1
  Ni  Ni112  1  0.361529  0.305220  0.505741  1
  Ni  Ni113  1  0.429571  0.941486  0.518380  1
  Ni  Ni114  1  0.861529  0.305220  0.505741  1
  Ni  Ni115  1  0.201613  0.486342  0.569791  1
  Ni  Ni116  1  0.701613  0.486342  0.569791  1
  Ni  Ni117  1  0.633325  0.849600  0.556986  1
  Ni  Ni118  1  0.065654  0.214039  0.544115  1
  Ni  Ni119  1  0.133325  0.849600  0.556986  1
  Ni  Ni120  1  0.565654  0.214039  0.544115  1
  Ni  Ni121  1  0.905344  0.394410  0.608346  1
  Ni  Ni122  1  0.405344  0.394410  0.608346  1
  Ni  Ni123  1  0.337445  0.758380  0.595111  1
  Ni  Ni124  1  0.769451  0.122248  0.582783  1
  Ni  Ni125  1  0.837445  0.758380  0.595111  1
  Ni  Ni126  1  0.269451  0.122248  0.582783  1
  Ni  Ni127  1  0.610137  0.304517  0.646811  1
  Ni  Ni128  1  0.110137  0.304517  0.646811  1
  Ni  Ni129  1  0.041098  0.666303  0.634194  1
  Ni  Ni130  1  0.473762  0.031401  0.620655  1
  Ni  Ni131  1  0.541098  0.666303  0.634194  1
  Ni  Ni132  1  0.973762  0.031401  0.620655  1
  Ni  Ni133  1  0.312110  0.209068  0.686531  1
  Ni  Ni134  1  0.812110  0.209068  0.686531  1
  Ni  Ni135  1  0.745723  0.576074  0.672481  1
  Ni  Ni136  1  0.177211  0.938922  0.659912  1
  Ni  Ni137  1  0.245723  0.576074  0.672481  1
  Ni  Ni138  1  0.677211  0.938922  0.659912  1
  Ni  Ni139  1  0.016135  0.117572  0.721380  1
  Ni  Ni140  1  0.516135  0.117572  0.721380  1
  Ni  Ni141  1  0.448688  0.482495  0.709867  1
  Ni  Ni142  1  0.883298  0.851436  0.696146  1
  Ni  Ni143  1  0.948688  0.482495  0.709867  1
  Ni  Ni144  1  0.383298  0.851436  0.696146  1
