# generated using pymatgen
data_Al3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.37964861
_cell_length_b   15.25770570
_cell_length_c   46.47685259
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni
_chemical_formula_sum   'Al144 Ni48'
_cell_volume   5942.26138159
_cell_formula_units_Z   48
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  0.755181  0.588108  0.350214  1
  Al  Al2  1  0.755181  0.885795  0.305223  1
  Al  Al3  1  0.755181  0.176866  0.276539  1
  Al  Al4  1  0.495069  0.448816  0.286436  1
  Al  Al5  1  0.515047  0.849443  0.374145  1
  Al  Al6  1  0.506372  0.142643  0.334187  1
  Al  Al7  1  0.015292  0.448816  0.286436  1
  Al  Al8  1  0.995315  0.849443  0.374145  1
  Al  Al9  1  1.003989  0.142643  0.334187  1
  Al  Al10  1  0.494604  0.484129  0.354241  1
  Al  Al11  1  0.515964  0.775530  0.319433  1
  Al  Al12  1  0.521636  0.051618  0.280073  1
  Al  Al13  1  0.510055  0.675336  0.366465  1
  Al  Al14  1  0.513235  0.964423  0.329437  1
  Al  Al15  1  0.502641  0.269491  0.291072  1
  Al  Al16  1  0.007925  0.603833  0.311406  1
  Al  Al17  1  0.048729  0.883248  0.272978  1
  Al  Al18  1  0.016311  0.308236  0.348620  1
  Al  Al19  1  1.000306  0.675336  0.366465  1
  Al  Al20  1  0.997126  0.964423  0.329437  1
  Al  Al21  1  0.007720  0.269491  0.291072  1
  Al  Al22  1  0.502436  0.603833  0.311406  1
  Al  Al23  1  0.461632  0.883248  0.272978  1
  Al  Al24  1  0.494051  0.308236  0.348620  1
  Al  Al25  1  0.015758  0.484129  0.354241  1
  Al  Al26  1  0.994397  0.775530  0.319433  1
  Al  Al27  1  0.988726  0.051618  0.280073  1
  Al  Al28  1  0.755181  0.402903  0.339879  1
  Al  Al29  1  0.755181  0.684833  0.290372  1
  Al  Al30  1  0.755181  0.113862  0.369013  1
  Al  Al31  1  0.255181  0.572276  0.376063  1
  Al  Al32  1  0.255181  0.864830  0.343250  1
  Al  Al33  1  0.255181  0.143623  0.297137  1
  Al  Al34  1  0.255181  0.643416  0.280366  1
  Al  Al35  1  0.255181  0.047781  0.351827  1
  Al  Al36  1  0.255181  0.360242  0.315958  1
  Al  Al37  1  0.755181  0.711549  0.458152  1
  Al  Al38  1  0.755181  1.004332  0.420518  1
  Al  Al39  1  0.755181  0.291527  0.385194  1
  Al  Al40  1  0.509793  0.557867  0.410524  1
  Al  Al41  1  0.510473  0.975097  0.484901  1
  Al  Al42  1  0.510552  0.266088  0.447553  1
  Al  Al43  1  1.000568  0.557867  0.410524  1
  Al  Al44  1  0.999888  0.975097  0.484901  1
  Al  Al45  1  0.999810  0.266088  0.447553  1
  Al  Al46  1  0.499570  0.609039  0.467894  1
  Al  Al47  1  0.499535  0.901669  0.430864  1
  Al  Al48  1  0.498747  0.191505  0.392988  1
  Al  Al49  1  0.511198  0.799931  0.477456  1
  Al  Al50  1  0.509950  0.091143  0.439937  1
  Al  Al51  1  0.510665  0.383145  0.402888  1
  Al  Al52  1  0.011511  0.725737  0.423647  1
  Al  Al53  1  0.010345  0.017633  0.385606  1
  Al  Al54  1  0.010941  0.433736  0.460042  1
  Al  Al55  1  0.999163  0.799931  0.477456  1
  Al  Al56  1  1.000412  0.091143  0.439937  1
  Al  Al57  1  0.999696  0.383145  0.402888  1
  Al  Al58  1  0.498851  0.725737  0.423647  1
  Al  Al59  1  0.500016  0.017633  0.385606  1
  Al  Al60  1  0.499421  0.433736  0.460042  1
  Al  Al61  1  0.010792  0.609039  0.467894  1
  Al  Al62  1  0.010826  0.901669  0.430864  1
  Al  Al63  1  0.011615  0.191505  0.392988  1
  Al  Al64  1  0.755181  0.529642  0.444405  1
  Al  Al65  1  0.755181  0.821860  0.408211  1
  Al  Al66  1  0.755181  0.237687  0.481332  1
  Al  Al67  1  0.255181  0.697094  0.487221  1
  Al  Al68  1  0.255181  0.988843  0.449909  1
  Al  Al69  1  0.255181  0.279548  0.412663  1
  Al  Al70  1  0.255181  0.754012  0.390139  1
  Al  Al71  1  0.255181  0.170960  0.463711  1
  Al  Al72  1  0.255181  0.461876  0.426323  1
  Al  Al73  1  0.755181  0.837525  0.569403  1
  Al  Al74  1  0.755181  0.128230  0.532157  1
  Al  Al75  1  0.755181  0.419979  0.494845  1
  Al  Al76  1  0.510941  0.683337  0.522024  1
  Al  Al77  1  0.510345  0.099440  0.596460  1
  Al  Al78  1  0.511511  0.391336  0.558419  1
  Al  Al79  1  0.999421  0.683337  0.522024  1
  Al  Al80  1  1.000016  0.099440  0.596460  1
  Al  Al81  1  0.998851  0.391336  0.558419  1
  Al  Al82  1  0.499696  0.733928  0.579178  1
  Al  Al83  1  0.500412  0.025930  0.542130  1
  Al  Al84  1  0.499163  0.317142  0.504610  1
  Al  Al85  1  0.511615  0.925568  0.589078  1
  Al  Al86  1  0.510826  0.215404  0.551202  1
  Al  Al87  1  0.510792  0.508034  0.514172  1
  Al  Al88  1  0.010552  0.850986  0.534513  1
  Al  Al89  1  0.010473  0.141976  0.497165  1
  Al  Al90  1  0.009793  0.559206  0.571542  1
  Al  Al91  1  0.998747  0.925568  0.589078  1
  Al  Al92  1  0.999535  0.215404  0.551202  1
  Al  Al93  1  0.999570  0.508034  0.514172  1
  Al  Al94  1  0.499810  0.850986  0.534513  1
  Al  Al95  1  0.499888  0.141976  0.497165  1
  Al  Al96  1  0.500568  0.559206  0.571542  1
  Al  Al97  1  0.010665  0.733928  0.579178  1
  Al  Al98  1  0.009950  0.025930  0.542130  1
  Al  Al99  1  0.011198  0.317142  0.504610  1
  Al  Al100  1  0.755181  0.655198  0.555744  1
  Al  Al101  1  0.755181  0.946113  0.518355  1
  Al  Al102  1  0.755181  0.363061  0.591927  1
  Al  Al103  1  0.255181  0.825547  0.596872  1
  Al  Al104  1  0.255181  0.112741  0.561548  1
  Al  Al105  1  0.255181  0.405524  0.523914  1
  Al  Al106  1  0.255181  0.879386  0.500734  1
  Al  Al107  1  0.255181  0.295213  0.573855  1
  Al  Al108  1  0.255181  0.587431  0.537661  1
  Al  Al109  1  0.755181  0.973450  0.684930  1
  Al  Al110  1  0.755181  0.252243  0.638816  1
  Al  Al111  1  0.755181  0.544798  0.606003  1
  Al  Al112  1  0.516311  0.808837  0.633446  1
  Al  Al113  1  0.548729  0.233826  0.709088  1
  Al  Al114  1  0.507925  0.513241  0.670660  1
  Al  Al115  1  0.994051  0.808837  0.633446  1
  Al  Al116  1  0.961632  0.233826  0.709088  1
  Al  Al117  1  1.002436  0.513241  0.670660  1
  Al  Al118  1  0.507720  0.847582  0.690994  1
  Al  Al119  1  0.497126  0.152650  0.652629  1
  Al  Al120  1  0.500306  0.441737  0.615601  1
  Al  Al121  1  0.488726  0.065455  0.701993  1
  Al  Al122  1  0.494397  0.341543  0.662633  1
  Al  Al123  1  0.515758  0.632944  0.627825  1
  Al  Al124  1  0.006372  0.974430  0.647879  1
  Al  Al125  1  0.015047  0.267631  0.607921  1
  Al  Al126  1  0.995069  0.668257  0.695630  1
  Al  Al127  1  0.021636  0.065455  0.701993  1
  Al  Al128  1  0.015964  0.341543  0.662633  1
  Al  Al129  1  0.994604  0.632944  0.627825  1
  Al  Al130  1  0.503989  0.974430  0.647879  1
  Al  Al131  1  0.495315  0.267631  0.607921  1
  Al  Al132  1  0.515292  0.668257  0.695630  1
  Al  Al133  1  1.002641  0.847582  0.690994  1
  Al  Al134  1  0.013235  0.152650  0.652629  1
  Al  Al135  1  0.010055  0.441737  0.615601  1
  Al  Al136  1  0.755181  0.756832  0.666108  1
  Al  Al137  1  0.755181  0.069293  0.630239  1
  Al  Al138  1  0.755181  0.473658  0.701701  1
  Al  Al139  1  0.255181  0.940208  0.705527  1
  Al  Al140  1  0.255181  0.231279  0.676843  1
  Al  Al141  1  0.255181  0.528966  0.631852  1
  Al  Al142  1  0.255181  1.003211  0.613053  1
  Al  Al143  1  0.255181  0.432241  0.691694  1
  Al  Al144  1  0.255181  0.714171  0.642187  1
  Ni  Ni145  1  0.755181  0.515880  0.301748  1
  Ni  Ni146  1  0.755181  0.942471  0.361647  1
  Ni  Ni147  1  0.755181  0.236366  0.327506  1
  Ni  Ni148  1  0.755181  0.355946  0.290054  1
  Ni  Ni149  1  0.755181  0.766580  0.354336  1
  Ni  Ni150  1  0.755181  0.058760  0.317465  1
  Ni  Ni151  1  0.255181  0.521419  0.323173  1
  Ni  Ni152  1  0.255181  0.798592  0.295591  1
  Ni  Ni153  1  0.255181  0.214835  0.360319  1
  Ni  Ni154  1  0.255181  0.687846  0.334353  1
  Ni  Ni155  1  0.255181  0.971959  0.300342  1
  Ni  Ni156  1  0.255181  0.393578  0.369955  1
  Ni  Ni157  1  0.755181  0.652379  0.400799  1
  Ni  Ni158  1  0.755181  0.067686  0.472940  1
  Ni  Ni159  1  0.755181  0.359466  0.436407  1
  Ni  Ni160  1  0.755181  0.475277  0.391712  1
  Ni  Ni161  1  0.755181  0.892460  0.464742  1
  Ni  Ni162  1  0.755181  0.182510  0.427913  1
  Ni  Ni163  1  0.255181  0.632254  0.434937  1
  Ni  Ni164  1  0.255181  0.924886  0.397798  1
  Ni  Ni165  1  0.255181  0.340892  0.471583  1
  Ni  Ni166  1  0.255181  0.809294  0.443536  1
  Ni  Ni167  1  0.255181  0.099764  0.405847  1
  Ni  Ni168  1  0.255181  0.516563  0.480047  1
  Ni  Ni169  1  0.755181  0.776181  0.510483  1
  Ni  Ni170  1  0.755181  0.192187  0.584268  1
  Ni  Ni171  1  0.755181  0.484819  0.547129  1
  Ni  Ni172  1  0.755181  0.600510  0.502019  1
  Ni  Ni173  1  0.755181  0.017309  0.576219  1
  Ni  Ni174  1  0.755181  0.307779  0.538530  1
  Ni  Ni175  1  0.255181  0.757607  0.545659  1
  Ni  Ni176  1  0.255181  0.049387  0.509126  1
  Ni  Ni177  1  0.255181  0.464694  0.581267  1
  Ni  Ni178  1  0.255181  0.934563  0.554153  1
  Ni  Ni179  1  0.255181  0.224613  0.517324  1
  Ni  Ni180  1  0.255181  0.641797  0.590354  1
  Ni  Ni181  1  0.755181  0.902238  0.621747  1
  Ni  Ni182  1  0.755181  0.318481  0.686475  1
  Ni  Ni183  1  0.755181  0.595654  0.658893  1
  Ni  Ni184  1  0.755181  0.723496  0.612111  1
  Ni  Ni185  1  0.755181  0.145114  0.681724  1
  Ni  Ni186  1  0.755181  0.429228  0.647713  1
  Ni  Ni187  1  0.255181  0.880708  0.654561  1
  Ni  Ni188  1  0.255181  0.174603  0.620419  1
  Ni  Ni189  1  0.255181  0.601193  0.680318  1
  Ni  Ni190  1  0.255181  0.058313  0.664601  1
  Ni  Ni191  1  0.255181  0.350493  0.627730  1
  Ni  Ni192  1  0.255181  0.761127  0.692012  1
