# generated using pymatgen
data_Al3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.33888072
_cell_length_b   12.78040623
_cell_length_c   51.51999451
_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   'Al96 Ni32'
_cell_volume   3515.36710293
_cell_formula_units_Z   32
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  0.114115  0.052948  0.248803  1
  Al  Al2  1  0.119007  0.809319  0.312040  1
  Al  Al3  1  0.660007  0.254415  0.252133  1
  Al  Al4  1  0.641629  0.010946  0.323962  1
  Al  Al5  1  0.636266  0.514243  0.322858  1
  Al  Al6  1  0.645727  0.815188  0.258459  1
  Al  Al7  1  0.169372  0.315228  0.258100  1
  Al  Al8  1  0.142040  0.029804  0.324155  1
  Al  Al9  1  0.889842  0.147975  0.291393  1
  Al  Al10  1  0.873581  0.866912  0.353645  1
  Al  Al11  1  0.379221  0.379039  0.352055  1
  Al  Al12  1  0.379204  0.655907  0.285956  1
  Al  Al13  1  0.877012  0.375535  0.355553  1
  Al  Al14  1  0.871035  0.654143  0.290325  1
  Al  Al15  1  0.380666  0.168136  0.290290  1
  Al  Al16  1  0.374500  0.885067  0.353889  1
  Al  Al17  1  0.132570  0.519355  0.322775  1
  Al  Al18  1  0.127497  0.809610  0.256657  1
  Al  Al19  1  0.401258  0.678272  0.341154  1
  Al  Al20  1  0.385561  0.947175  0.284348  1
  Al  Al21  1  0.886068  0.351786  0.300859  1
  Al  Al22  1  0.896257  0.074689  0.366037  1
  Al  Al23  1  0.620050  0.217332  0.333424  1
  Al  Al24  1  0.608413  0.476488  0.266986  1
  Al  Al25  1  0.117601  0.538723  0.373763  1
  Al  Al26  1  0.117784  0.255946  0.435870  1
  Al  Al27  1  0.639955  0.725654  0.384546  1
  Al  Al28  1  0.639897  0.444430  0.447483  1
  Al  Al29  1  0.639489  0.950996  0.449727  1
  Al  Al30  1  0.640751  0.234536  0.387213  1
  Al  Al31  1  0.139710  0.744340  0.384601  1
  Al  Al32  1  0.139689  0.462412  0.447205  1
  Al  Al33  1  0.873363  0.585684  0.416163  1
  Al  Al34  1  0.874762  0.303025  0.478719  1
  Al  Al35  1  0.374385  0.813720  0.476350  1
  Al  Al36  1  0.374665  0.096696  0.414176  1
  Al  Al37  1  0.874345  0.809839  0.480900  1
  Al  Al38  1  0.874448  0.092584  0.418657  1
  Al  Al39  1  0.374828  0.603670  0.415905  1
  Al  Al40  1  0.374748  0.320893  0.478470  1
  Al  Al41  1  0.139424  0.954775  0.445261  1
  Al  Al42  1  0.140222  0.238285  0.382464  1
  Al  Al43  1  0.396100  0.114164  0.467169  1
  Al  Al44  1  0.397071  0.397147  0.404738  1
  Al  Al45  1  0.895664  0.792067  0.427516  1
  Al  Al46  1  0.896310  0.509831  0.490012  1
  Al  Al47  1  0.617709  0.651034  0.458763  1
  Al  Al48  1  0.618229  0.932858  0.396587  1
  Al  Al49  1  0.117826  0.972701  0.498420  1
  Al  Al50  1  0.118472  0.690465  0.560915  1
  Al  Al51  1  0.639388  0.161639  0.509961  1
  Al  Al52  1  0.639308  0.878862  0.572527  1
  Al  Al53  1  0.639471  0.385837  0.574256  1
  Al  Al54  1  0.639751  0.668812  0.512082  1
  Al  Al55  1  0.139374  0.179507  0.509713  1
  Al  Al56  1  0.140772  0.896849  0.572269  1
  Al  Al57  1  0.874446  0.020121  0.541227  1
  Al  Al58  1  0.874425  0.738193  0.603831  1
  Al  Al59  1  0.373385  0.247997  0.601218  1
  Al  Al60  1  0.374647  0.531536  0.538705  1
  Al  Al61  1  0.873913  0.244247  0.605968  1
  Al  Al62  1  0.874712  0.527757  0.543171  1
  Al  Al63  1  0.374239  0.038103  0.540949  1
  Al  Al64  1  0.374181  0.756878  0.603886  1
  Al  Al65  1  0.139688  0.389948  0.569774  1
  Al  Al66  1  0.139791  0.672694  0.507531  1
  Al  Al67  1  0.395907  0.549675  0.591845  1
  Al  Al68  1  0.396427  0.831499  0.529669  1
  Al  Al69  1  0.896352  0.226586  0.552562  1
  Al  Al70  1  0.896534  0.943809  0.614668  1
  Al  Al71  1  0.617065  0.085386  0.583694  1
  Al  Al72  1  0.618035  0.368369  0.521263  1
  Al  Al73  1  0.117879  0.407843  0.622395  1
  Al  Al74  1  0.128067  0.130746  0.687573  1
  Al  Al75  1  0.639636  0.597465  0.634543  1
  Al  Al76  1  0.633470  0.314396  0.698141  1
  Al  Al77  1  0.634932  0.826626  0.702476  1
  Al  Al78  1  0.634915  0.103493  0.636377  1
  Al  Al79  1  0.140554  0.615621  0.634787  1
  Al  Al80  1  0.124294  0.334557  0.697039  1
  Al  Al81  1  0.872096  0.452728  0.664277  1
  Al  Al82  1  0.844764  0.167304  0.730332  1
  Al  Al83  1  0.368409  0.667344  0.729973  1
  Al  Al84  1  0.377870  0.968290  0.665574  1
  Al  Al85  1  0.886638  0.672922  0.731775  1
  Al  Al86  1  0.881566  0.963178  0.665657  1
  Al  Al87  1  0.372507  0.471587  0.664470  1
  Al  Al88  1  0.354129  0.228118  0.736298  1
  Al  Al89  1  0.143101  0.828389  0.698107  1
  Al  Al90  1  0.137124  0.106998  0.632879  1
  Al  Al91  1  0.405722  0.006044  0.721446  1
  Al  Al92  1  0.394086  0.265200  0.655008  1
  Al  Al93  1  0.895129  0.673213  0.676391  1
  Al  Al94  1  0.900021  0.429584  0.739629  1
  Al  Al95  1  0.628575  0.535357  0.704084  1
  Al  Al96  1  0.612878  0.804261  0.647278  1
  Ni  Ni97  1  0.638176  0.058329  0.256827  1
  Ni  Ni98  1  0.633740  0.810870  0.311238  1
  Ni  Ni99  1  0.879237  0.672665  0.341972  1
  Ni  Ni100  1  0.891824  0.946028  0.285277  1
  Ni  Ni101  1  0.379308  0.361798  0.302145  1
  Ni  Ni102  1  0.385299  0.081378  0.364750  1
  Ni  Ni103  1  0.136099  0.225821  0.331883  1
  Ni  Ni104  1  0.121772  0.492821  0.276032  1
  Ni  Ni105  1  0.632947  0.532211  0.373947  1
  Ni  Ni106  1  0.631757  0.250002  0.437124  1
  Ni  Ni107  1  0.882210  0.108373  0.468404  1
  Ni  Ni108  1  0.882912  0.391558  0.405770  1
  Ni  Ni109  1  0.381785  0.797758  0.426337  1
  Ni  Ni110  1  0.382390  0.515472  0.488816  1
  Ni  Ni111  1  0.131713  0.656759  0.457548  1
  Ni  Ni112  1  0.132198  0.938778  0.395451  1
  Ni  Ni113  1  0.631745  0.967061  0.499615  1
  Ni  Ni114  1  0.632351  0.684775  0.562095  1
  Ni  Ni115  1  0.881937  0.543754  0.592981  1
  Ni  Ni116  1  0.882422  0.825773  0.530884  1
  Ni  Ni117  1  0.382379  0.232530  0.551308  1
  Ni  Ni118  1  0.381189  0.950321  0.614485  1
  Ni  Ni119  1  0.131224  0.090975  0.582662  1
  Ni  Ni120  1  0.131926  0.374160  0.520027  1
  Ni  Ni121  1  0.628836  0.401154  0.623681  1
  Ni  Ni122  1  0.634827  0.120734  0.686286  1
  Ni  Ni123  1  0.892363  0.989711  0.712400  1
  Ni  Ni124  1  0.878037  0.256711  0.656548  1
  Ni  Ni125  1  0.380396  0.671662  0.677194  1
  Ni  Ni126  1  0.375960  0.424203  0.731605  1
  Ni  Ni127  1  0.122312  0.536505  0.703155  1
  Ni  Ni128  1  0.134898  0.809867  0.646459  1
