# generated using pymatgen
data_AlNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.90705110
_cell_length_b   8.90179716
_cell_length_c   46.36790903
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   84.26082952
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlNi
_chemical_formula_sum   'Al72 Ni72'
_cell_volume   3658.02565519
_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  0.972570  0.306822  0.320652  1
  Al  Al2  1  0.310550  0.976256  0.324650  1
  Al  Al3  1  0.373885  0.372551  0.283431  1
  Al  Al4  1  0.642045  0.644772  0.324648  1
  Al  Al5  1  0.700835  0.035052  0.283871  1
  Al  Al6  1  0.677129  0.334768  0.302075  1
  Al  Al7  1  0.038356  0.708057  0.283428  1
  Al  Al8  1  1.000529  0.011373  0.302063  1
  Al  Al9  1  0.336403  0.670618  0.303648  1
  Al  Al10  1  0.882337  0.216456  0.378110  1
  Al  Al11  1  0.214089  0.884165  0.377966  1
  Al  Al12  1  0.278748  0.279524  0.341324  1
  Al  Al13  1  0.550046  0.548226  0.377971  1
  Al  Al14  1  0.610189  0.944359  0.341716  1
  Al  Al15  1  0.580241  0.248161  0.359745  1
  Al  Al16  1  0.945349  0.612908  0.341318  1
  Al  Al17  1  0.914023  0.914381  0.359743  1
  Al  Al18  1  0.246000  0.580161  0.359050  1
  Al  Al19  1  0.789826  0.123852  0.434029  1
  Al  Al20  1  0.123614  0.790435  0.433746  1
  Al  Al21  1  0.183449  0.186407  0.396480  1
  Al  Al22  1  0.456401  0.457651  0.433746  1
  Al  Al23  1  0.517925  0.851996  0.396934  1
  Al  Al24  1  0.487692  0.155514  0.415625  1
  Al  Al25  1  0.852323  0.517541  0.396485  1
  Al  Al26  1  0.821461  0.821745  0.415626  1
  Al  Al27  1  0.153469  0.487534  0.414926  1
  Al  Al28  1  0.697024  0.030968  0.489442  1
  Al  Al29  1  0.030833  0.697385  0.489473  1
  Al  Al30  1  0.092344  0.093138  0.452464  1
  Al  Al31  1  0.363439  0.364775  0.489471  1
  Al  Al32  1  0.425266  0.759277  0.452081  1
  Al  Al33  1  0.394210  0.062338  0.470846  1
  Al  Al34  1  0.759142  0.426339  0.452465  1
  Al  Al35  1  0.728367  0.728187  0.470849  1
  Al  Al36  1  0.061290  0.395257  0.470993  1
  Al  Al37  1  0.604045  0.937913  0.544870  1
  Al  Al38  1  0.937899  0.605081  0.545266  1
  Al  Al39  1  1.000055  0.999935  0.508078  1
  Al  Al40  1  0.271228  0.271750  0.545267  1
  Al  Al41  1  0.332885  0.666801  0.507996  1
  Al  Al42  1  0.302407  0.968917  0.526544  1
  Al  Al43  1  0.666019  0.333968  0.508075  1
  Al  Al44  1  0.635025  0.636293  0.526541  1
  Al  Al45  1  0.968730  0.302610  0.526718  1
  Al  Al46  1  0.512111  0.845873  0.601116  1
  Al  Al47  1  0.844491  0.513706  0.600838  1
  Al  Al48  1  0.907146  0.906968  0.563522  1
  Al  Al49  1  0.179929  0.178275  0.600844  1
  Al  Al50  1  0.239901  0.573722  0.563777  1
  Al  Al51  1  0.209966  0.876658  0.582391  1
  Al  Al52  1  0.573140  0.240977  0.563522  1
  Al  Al53  1  0.542859  0.543764  0.582390  1
  Al  Al54  1  0.875294  0.209105  0.581738  1
  Al  Al55  1  0.416994  0.750689  0.656056  1
  Al  Al56  1  0.752280  0.419730  0.655694  1
  Al  Al57  1  0.812981  0.815723  0.619376  1
  Al  Al58  1  0.086030  0.085962  0.655688  1
  Al  Al59  1  0.147853  0.481581  0.619590  1
  Al  Al60  1  0.117354  0.783388  0.638070  1
  Al  Al61  1  0.481995  0.146729  0.619380  1
  Al  Al62  1  0.449683  0.451056  0.638071  1
  Al  Al63  1  0.782344  0.116070  0.637306  1
  Al  Al64  1  0.321361  0.655044  0.713995  1
  Al  Al65  1  0.659938  0.324132  0.713400  1
  Al  Al66  1  0.724831  0.723382  0.676263  1
  Al  Al67  1  0.990459  0.993575  0.713398  1
  Al  Al68  1  0.053469  0.387123  0.672355  1
  Al  Al69  1  0.019978  0.696126  0.694962  1
  Al  Al70  1  0.389762  0.058459  0.676261  1
  Al  Al71  1  0.362503  0.353596  0.694975  1
  Al  Al72  1  0.689374  0.022978  0.695674  1
  Ni  Ni73  1  0.790418  0.124596  0.332333  1
  Ni  Ni74  1  0.233929  0.899617  0.278240  1
  Ni  Ni75  1  0.197376  0.185847  0.295350  1
  Ni  Ni76  1  0.565366  0.568183  0.278239  1
  Ni  Ni77  1  0.520014  0.854319  0.295575  1
  Ni  Ni78  1  0.489735  0.157010  0.313574  1
  Ni  Ni79  1  0.851543  0.531642  0.295341  1
  Ni  Ni80  1  0.822818  0.823948  0.313572  1
  Ni  Ni81  1  0.154206  0.488397  0.312802  1
  Ni  Ni82  1  0.700392  0.034487  0.387733  1
  Ni  Ni83  1  0.124187  0.796582  0.331167  1
  Ni  Ni84  1  0.092430  0.097432  0.349816  1
  Ni  Ni85  1  0.462397  0.458389  0.331174  1
  Ni  Ni86  1  0.426767  0.760928  0.350871  1
  Ni  Ni87  1  0.398688  0.066752  0.369821  1
  Ni  Ni88  1  0.763258  0.426621  0.349823  1
  Ni  Ni89  1  0.732645  0.732801  0.369819  1
  Ni  Ni90  1  0.063235  0.397381  0.368069  1
  Ni  Ni91  1  0.607571  0.941582  0.443215  1
  Ni  Ni92  1  0.033802  0.701028  0.387504  1
  Ni  Ni93  1  0.002622  0.003980  0.406144  1
  Ni  Ni94  1  0.366931  0.367915  0.387506  1
  Ni  Ni95  1  0.335586  0.669676  0.405547  1
  Ni  Ni96  1  0.304640  0.973449  0.424390  1
  Ni  Ni97  1  0.669909  0.336696  0.406145  1
  Ni  Ni98  1  0.639410  0.638689  0.424395  1
  Ni  Ni99  1  0.971659  0.305697  0.424612  1
  Ni  Ni100  1  0.514795  0.848735  0.498484  1
  Ni  Ni101  1  0.941618  0.607774  0.443013  1
  Ni  Ni102  1  0.910714  0.910692  0.461794  1
  Ni  Ni103  1  0.273755  0.275632  0.443009  1
  Ni  Ni104  1  0.243223  0.577217  0.461510  1
  Ni  Ni105  1  0.212807  0.879648  0.480143  1
  Ni  Ni106  1  0.576706  0.244697  0.461792  1
  Ni  Ni107  1  0.545686  0.546768  0.480142  1
  Ni  Ni108  1  0.879272  0.213223  0.480361  1
  Ni  Ni109  1  0.422246  0.756088  0.554543  1
  Ni  Ni110  1  0.848489  0.515686  0.498867  1
  Ni  Ni111  1  0.817706  0.817721  0.517202  1
  Ni  Ni112  1  0.181762  0.182413  0.498866  1
  Ni  Ni113  1  0.150762  0.484656  0.517390  1
  Ni  Ni114  1  0.120388  0.786864  0.535902  1
  Ni  Ni115  1  0.483817  0.151609  0.517200  1
  Ni  Ni116  1  0.452993  0.454254  0.535900  1
  Ni  Ni117  1  0.786211  0.120088  0.535661  1
  Ni  Ni118  1  0.329496  0.663247  0.609920  1
  Ni  Ni119  1  0.755242  0.423578  0.554418  1
  Ni  Ni120  1  0.724331  0.725987  0.572932  1
  Ni  Ni121  1  0.089735  0.089090  0.554422  1
  Ni  Ni122  1  0.057907  0.391718  0.573196  1
  Ni  Ni123  1  0.027318  0.694861  0.591681  1
  Ni  Ni124  1  0.392173  0.058153  0.572937  1
  Ni  Ni125  1  0.361088  0.361094  0.591682  1
  Ni  Ni126  1  0.693496  0.027288  0.591046  1
  Ni  Ni127  1  0.235843  0.569494  0.666505  1
  Ni  Ni128  1  0.662560  0.330114  0.609765  1
  Ni  Ni129  1  0.632648  0.634073  0.629063  1
  Ni  Ni130  1  0.996343  0.996315  0.609763  1
  Ni  Ni131  1  0.963977  0.297736  0.627395  1
  Ni  Ni132  1  0.934119  0.605329  0.647229  1
  Ni  Ni133  1  0.300355  0.966376  0.629061  1
  Ni  Ni134  1  0.271648  0.267818  0.647236  1
  Ni  Ni135  1  0.601278  0.934953  0.647973  1
  Ni  Ni136  1  0.129235  0.462848  0.718901  1
  Ni  Ni137  1  0.573800  0.237402  0.665160  1
  Ni  Ni138  1  0.541326  0.541514  0.684223  1
  Ni  Ni139  1  0.903721  0.907464  0.665154  1
  Ni  Ni140  1  0.873038  0.206689  0.683366  1
  Ni  Ni141  1  0.845020  0.500162  0.701834  1
  Ni  Ni142  1  0.207861  0.875000  0.684222  1
  Ni  Ni143  1  0.166562  0.178575  0.701824  1
  Ni  Ni144  1  0.501999  0.835598  0.701971  1
