# generated using pymatgen
data_Al3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.10972493
_cell_length_b   25.27423657
_cell_length_c   50.17220343
_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   'Al180 Ni60'
_cell_volume   7747.52307747
_cell_formula_units_Z   60
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  0.022910  0.456584  0.350802  1
  Al  Al2  1  0.023583  0.815095  0.320991  1
  Al  Al3  1  0.011646  0.173686  0.291087  1
  Al  Al4  1  0.178239  0.557049  0.314362  1
  Al  Al5  1  0.218777  0.915264  0.282946  1
  Al  Al6  1  0.187898  0.199765  0.343252  1
  Al  Al7  1  0.183553  0.441836  0.285745  1
  Al  Al8  1  0.191089  0.720033  0.349338  1
  Al  Al9  1  0.192569  0.077971  0.314440  1
  Al  Al10  1  0.311670  0.625181  0.275458  1
  Al  Al11  1  0.331716  0.899077  0.334208  1
  Al  Al12  1  0.325350  0.260146  0.300117  1
  Al  Al13  1  0.710762  0.574352  0.291744  1
  Al  Al14  1  0.692269  0.854960  0.354706  1
  Al  Al15  1  0.688740  0.214823  0.324997  1
  Al  Al16  1  0.867318  0.751338  0.279168  1
  Al  Al17  1  0.832584  0.034909  0.339537  1
  Al  Al18  1  0.822494  0.394931  0.310399  1
  Al  Al19  1  0.682520  0.460059  0.269360  1
  Al  Al20  1  0.686545  0.738151  0.329448  1
  Al  Al21  1  0.676720  0.096719  0.298201  1
  Al  Al22  1  0.816491  0.558966  0.344501  1
  Al  Al23  1  0.830697  0.915945  0.313914  1
  Al  Al24  1  0.829157  0.277070  0.283453  1
  Al  Al25  1  0.316978  0.735795  0.296908  1
  Al  Al26  1  0.331002  0.020204  0.358389  1
  Al  Al27  1  0.327396  0.379536  0.328329  1
  Al  Al28  1  0.508410  0.480813  0.322472  1
  Al  Al29  1  0.547514  0.832829  0.296424  1
  Al  Al30  1  0.519561  0.120026  0.352401  1
  Al  Al31  1  0.986625  0.657671  0.311809  1
  Al  Al32  1  0.919530  0.005936  0.282837  1
  Al  Al33  1  0.998608  0.299899  0.337562  1
  Al  Al34  1  0.488528  0.635290  0.333985  1
  Al  Al35  1  0.501709  0.992005  0.305825  1
  Al  Al36  1  0.499786  0.356104  0.276664  1
  Al  Al37  1  0.022082  0.380336  0.441165  1
  Al  Al38  1  0.022198  0.739119  0.411064  1
  Al  Al39  1  0.022930  0.097486  0.380047  1
  Al  Al40  1  0.192054  0.480941  0.404618  1
  Al  Al41  1  0.189202  0.839423  0.374774  1
  Al  Al42  1  0.192809  0.122605  0.434567  1
  Al  Al43  1  0.191580  0.362118  0.378599  1
  Al  Al44  1  0.191026  0.645290  0.440132  1
  Al  Al45  1  0.192849  0.003795  0.409063  1
  Al  Al46  1  0.330476  0.541307  0.363982  1
  Al  Al47  1  0.329045  0.824718  0.424919  1
  Al  Al48  1  0.328090  0.182812  0.393500  1
  Al  Al49  1  0.691299  0.497133  0.385367  1
  Al  Al50  1  0.691592  0.780324  0.446149  1
  Al  Al51  1  0.690981  0.138252  0.415269  1
  Al  Al52  1  0.823509  0.676334  0.369756  1
  Al  Al53  1  0.829155  0.959581  0.430764  1
  Al  Al54  1  0.828679  0.317544  0.400237  1
  Al  Al55  1  0.688661  0.377900  0.360009  1
  Al  Al56  1  0.691869  0.661533  0.420564  1
  Al  Al57  1  0.692135  0.019876  0.389906  1
  Al  Al58  1  0.829024  0.481828  0.435578  1
  Al  Al59  1  0.827216  0.840731  0.405402  1
  Al  Al60  1  0.828391  0.198317  0.374662  1
  Al  Al61  1  0.328791  0.660462  0.390045  1
  Al  Al62  1  0.328439  0.943672  0.450185  1
  Al  Al63  1  0.327799  0.301586  0.419402  1
  Al  Al64  1  0.521937  0.402968  0.413943  1
  Al  Al65  1  0.522245  0.761431  0.384193  1
  Al  Al66  1  0.522424  0.044774  0.444199  1
  Al  Al67  1  0.994350  0.582083  0.399444  1
  Al  Al68  1  0.999098  0.940597  0.368636  1
  Al  Al69  1  0.997798  0.223609  0.428874  1
  Al  Al70  1  0.498191  0.559953  0.426201  1
  Al  Al71  1  0.497868  0.918218  0.395717  1
  Al  Al72  1  0.496045  0.276511  0.365168  1
  Al  Al73  1  0.022531  0.304722  0.532131  1
  Al  Al74  1  0.022447  0.663766  0.502011  1
  Al  Al75  1  0.022000  0.022280  0.471681  1
  Al  Al76  1  0.191891  0.405121  0.495441  1
  Al  Al77  1  0.191232  0.764285  0.465537  1
  Al  Al78  1  0.191769  0.047077  0.526152  1
  Al  Al79  1  0.191603  0.286330  0.469850  1
  Al  Al80  1  0.191766  0.569634  0.530762  1
  Al  Al81  1  0.191545  0.928534  0.500640  1
  Al  Al82  1  0.329310  0.465725  0.454864  1
  Al  Al83  1  0.329355  0.749248  0.515787  1
  Al  Al84  1  0.328775  0.107384  0.485180  1
  Al  Al85  1  0.691224  0.421169  0.476125  1
  Al  Al86  1  0.691269  0.704692  0.537048  1
  Al  Al87  1  0.691804  0.063033  0.506732  1
  Al  Al88  1  0.828812  0.600783  0.461150  1
  Al  Al89  1  0.828975  0.884088  0.522062  1
  Al  Al90  1  0.829034  0.241883  0.491272  1
  Al  Al91  1  0.691132  0.302323  0.450532  1
  Al  Al92  1  0.691430  0.585780  0.511389  1
  Al  Al93  1  0.692066  0.944549  0.481251  1
  Al  Al94  1  0.829347  0.406133  0.526376  1
  Al  Al95  1  0.828687  0.765297  0.496471  1
  Al  Al96  1  0.828809  0.123340  0.465760  1
  Al  Al97  1  0.329149  0.584638  0.480523  1
  Al  Al98  1  0.329447  0.868095  0.541381  1
  Al  Al99  1  0.328512  0.225869  0.510661  1
  Al  Al100  1  0.522278  0.327173  0.504907  1
  Al  Al101  1  0.522435  0.686264  0.474957  1
  Al  Al102  1  0.521844  0.969335  0.535621  1
  Al  Al103  1  0.998131  0.506651  0.489901  1
  Al  Al104  1  0.998048  0.865695  0.459781  1
  Al  Al105  1  0.998579  0.148138  0.520231  1
  Al  Al106  1  0.498144  0.484154  0.516955  1
  Al  Al107  1  0.498300  0.843245  0.487005  1
  Al  Al108  1  0.498734  0.201082  0.456291  1
  Al  Al109  1  0.021481  0.229820  0.623276  1
  Al  Al110  1  0.026228  0.588334  0.592469  1
  Al  Al111  1  0.022780  0.946808  0.563038  1
  Al  Al112  1  0.193363  0.329687  0.586510  1
  Al  Al113  1  0.191554  0.688590  0.556334  1
  Al  Al114  1  0.192188  0.972100  0.617250  1
  Al  Al115  1  0.191423  0.210836  0.561148  1
  Al  Al116  1  0.197070  0.494084  0.622156  1
  Al  Al117  1  0.191900  0.852874  0.591675  1
  Al  Al118  1  0.328987  0.390094  0.545763  1
  Al  Al119  1  0.329280  0.673284  0.606545  1
  Al  Al120  1  0.329597  0.032165  0.576643  1
  Al  Al121  1  0.691534  0.345700  0.566993  1
  Al  Al122  1  0.690102  0.629110  0.627930  1
  Al  Al123  1  0.692488  0.987605  0.598412  1
  Al  Al124  1  0.829553  0.525128  0.551780  1
  Al  Al125  1  0.828999  0.808299  0.613313  1
  Al  Al126  1  0.827730  0.166622  0.582849  1
  Al  Al127  1  0.692140  0.226745  0.541727  1
  Al  Al128  1  0.691788  0.509956  0.601867  1
  Al  Al129  1  0.692780  0.868831  0.572510  1
  Al  Al130  1  0.831377  0.330995  0.617139  1
  Al  Al131  1  0.828525  0.689477  0.587294  1
  Al  Al132  1  0.827770  0.047813  0.557345  1
  Al  Al133  1  0.328709  0.508885  0.571349  1
  Al  Al134  1  0.331918  0.792517  0.631903  1
  Al  Al135  1  0.328443  0.150541  0.602006  1
  Al  Al136  1  0.522710  0.252199  0.596195  1
  Al  Al137  1  0.522388  0.610465  0.565711  1
  Al  Al138  1  0.524534  0.893906  0.626744  1
  Al  Al139  1  0.998381  0.431299  0.580848  1
  Al  Al140  1  0.998496  0.790081  0.550747  1
  Al  Al141  1  0.997648  0.072931  0.611865  1
  Al  Al142  1  0.498334  0.408987  0.607719  1
  Al  Al143  1  0.498641  0.767450  0.577969  1
  Al  Al144  1  0.498154  0.125644  0.547713  1
  Al  Al145  1  0.101048  0.164482  0.709076  1
  Al  Al146  1  0.033954  0.512746  0.680103  1
  Al  Al147  1  0.021970  0.870519  0.654350  1
  Al  Al148  1  0.189882  0.254472  0.677999  1
  Al  Al149  1  0.204087  0.611451  0.647411  1
  Al  Al150  1  0.191421  0.893347  0.708459  1
  Al  Al151  1  0.187995  0.135509  0.652375  1
  Al  Al152  1  0.153260  0.419079  0.712744  1
  Al  Al153  1  0.198085  0.775486  0.681513  1
  Al  Al154  1  0.328310  0.315457  0.637206  1
  Al  Al155  1  0.309817  0.596065  0.700168  1
  Al  Al156  1  0.331839  0.955594  0.666915  1
  Al  Al157  1  0.688863  0.271341  0.657704  1
  Al  Al158  1  0.708909  0.545236  0.716454  1
  Al  Al159  1  0.695229  0.910272  0.691795  1
  Al  Al160  1  0.829490  0.450385  0.642574  1
  Al  Al161  1  0.837026  0.728581  0.706167  1
  Al  Al162  1  0.828010  0.092446  0.677472  1
  Al  Al163  1  0.689577  0.150213  0.633523  1
  Al  Al164  1  0.703600  0.434622  0.695004  1
  Al  Al165  1  0.693183  0.790882  0.663583  1
  Al  Al166  1  0.801802  0.255153  0.708966  1
  Al  Al167  1  0.842340  0.613368  0.677550  1
  Al  Al168  1  0.832681  0.970653  0.648660  1
  Al  Al169  1  0.334034  0.432266  0.662464  1
  Al  Al170  1  0.338059  0.710358  0.722552  1
  Al  Al171  1  0.343859  0.073698  0.693711  1
  Al  Al172  1  0.518870  0.178413  0.686087  1
  Al  Al173  1  0.532051  0.535128  0.657927  1
  Al  Al174  1  0.520793  0.814313  0.715248  1
  Al  Al175  1  0.996996  0.355322  0.670921  1
  Al  Al176  1  0.997669  0.713834  0.641110  1
  Al  Al177  1  1.008933  0.996731  0.700825  1
  Al  Al178  1  0.473065  0.337588  0.695488  1
  Al  Al179  1  0.512169  0.689604  0.669440  1
  Al  Al180  1  0.501018  0.050391  0.639511  1
  Ni  Ni181  1  0.888357  0.492328  0.308274  1
  Ni  Ni182  1  0.911678  0.851580  0.276776  1
  Ni  Ni183  1  0.899622  0.133205  0.336121  1
  Ni  Ni184  1  0.383521  0.524966  0.276692  1
  Ni  Ni185  1  0.390271  0.799206  0.337997  1
  Ni  Ni186  1  0.391848  0.161560  0.306510  1
  Ni  Ni187  1  0.122389  0.620198  0.353882  1
  Ni  Ni188  1  0.128749  0.978329  0.322624  1
  Ni  Ni189  1  0.117450  0.342367  0.291472  1
  Ni  Ni190  1  0.633716  0.673790  0.291258  1
  Ni  Ni191  1  0.625039  0.954791  0.351997  1
  Ni  Ni192  1  0.618141  0.313554  0.321682  1
  Ni  Ni193  1  0.896849  0.416988  0.397148  1
  Ni  Ni194  1  0.896384  0.775357  0.367116  1
  Ni  Ni195  1  0.898037  0.058654  0.427339  1
  Ni  Ni196  1  0.397620  0.442475  0.366996  1
  Ni  Ni197  1  0.396233  0.725265  0.428241  1
  Ni  Ni198  1  0.396689  0.083823  0.396922  1
  Ni  Ni199  1  0.124144  0.545713  0.443150  1
  Ni  Ni200  1  0.123588  0.904532  0.412846  1
  Ni  Ni201  1  0.121757  0.262949  0.381852  1
  Ni  Ni202  1  0.620332  0.596874  0.382115  1
  Ni  Ni203  1  0.623716  0.879789  0.442859  1
  Ni  Ni204  1  0.622695  0.237557  0.412044  1
  Ni  Ni205  1  0.896673  0.341224  0.488001  1
  Ni  Ni206  1  0.896302  0.700392  0.458014  1
  Ni  Ni207  1  0.896637  0.983264  0.518842  1
  Ni  Ni208  1  0.396488  0.366248  0.457978  1
  Ni  Ni209  1  0.396581  0.649667  0.518941  1
  Ni  Ni210  1  0.396678  0.008358  0.488527  1
  Ni  Ni211  1  0.124277  0.470025  0.533898  1
  Ni  Ni212  1  0.123906  0.829193  0.503911  1
  Ni  Ni213  1  0.123941  0.187154  0.473070  1
  Ni  Ni214  1  0.623998  0.520751  0.472971  1
  Ni  Ni215  1  0.624091  0.804169  0.533934  1
  Ni  Ni216  1  0.623901  0.162060  0.503385  1
  Ni  Ni217  1  0.896991  0.265886  0.579066  1
  Ni  Ni218  1  0.896435  0.624704  0.548762  1
  Ni  Ni219  1  0.898822  0.907468  0.610060  1
  Ni  Ni220  1  0.396863  0.290629  0.549053  1
  Ni  Ni221  1  0.400246  0.573544  0.609797  1
  Ni  Ni222  1  0.397883  0.932861  0.579868  1
  Ni  Ni223  1  0.124194  0.395060  0.624796  1
  Ni  Ni224  1  0.123730  0.753429  0.594764  1
  Ni  Ni225  1  0.122541  0.111763  0.564574  1
  Ni  Ni226  1  0.624346  0.445153  0.563671  1
  Ni  Ni227  1  0.622959  0.727942  0.624917  1
  Ni  Ni228  1  0.623889  0.086595  0.594990  1
  Ni  Ni229  1  0.891830  0.192088  0.669288  1
  Ni  Ni230  1  0.898189  0.550220  0.638030  1
  Ni  Ni231  1  0.903129  0.828051  0.700440  1
  Ni  Ni232  1  0.395540  0.215626  0.639915  1
  Ni  Ni233  1  0.386863  0.496627  0.700654  1
  Ni  Ni234  1  0.402438  0.856864  0.670230  1
  Ni  Ni235  1  0.108900  0.318837  0.715136  1
  Ni  Ni236  1  0.132222  0.678090  0.683638  1
  Ni  Ni237  1  0.120957  0.037212  0.655792  1
  Ni  Ni238  1  0.630308  0.371211  0.653915  1
  Ni  Ni239  1  0.637058  0.645451  0.715220  1
  Ni  Ni240  1  0.628731  0.008857  0.685402  1
