# generated using pymatgen
data_Al3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.69825343
_cell_length_b   19.03996876
_cell_length_c   53.08799888
_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   7781.3471424
_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  0.754337  0.909696  0.329640  1
  Al  Al2  1  0.754337  0.102763  0.273264  1
  Al  Al3  1  0.754337  0.503458  0.301521  1
  Al  Al4  1  0.555863  0.970802  0.286733  1
  Al  Al5  1  0.545510  0.375509  0.318581  1
  Al  Al6  1  0.545607  0.774760  0.347690  1
  Al  Al7  1  0.952811  0.970802  0.286733  1
  Al  Al8  1  0.963164  0.375509  0.318581  1
  Al  Al9  1  0.963067  0.774760  0.347690  1
  Al  Al10  1  0.462183  0.840318  0.304169  1
  Al  Al11  1  0.454253  0.245268  0.333615  1
  Al  Al12  1  0.451449  0.450518  0.275673  1
  Al  Al13  1  0.546799  0.029970  0.346663  1
  Al  Al14  1  0.557113  0.229489  0.284363  1
  Al  Al15  1  0.552158  0.628593  0.318797  1
  Al  Al16  1  0.049054  0.690661  0.274791  1
  Al  Al17  1  0.049736  0.099812  0.304721  1
  Al  Al18  1  0.043868  0.503441  0.336078  1
  Al  Al19  1  0.961875  0.029970  0.346663  1
  Al  Al20  1  0.951562  0.229489  0.284363  1
  Al  Al21  1  0.956516  0.628593  0.318797  1
  Al  Al22  1  0.459620  0.690661  0.274791  1
  Al  Al23  1  0.458939  0.099812  0.304721  1
  Al  Al24  1  0.464807  0.503441  0.336078  1
  Al  Al25  1  0.046491  0.840318  0.304169  1
  Al  Al26  1  0.054422  0.245268  0.333615  1
  Al  Al27  1  0.057226  0.450518  0.275673  1
  Al  Al28  1  0.754337  0.746033  0.304849  1
  Al  Al29  1  0.754337  0.156311  0.332302  1
  Al  Al30  1  0.754337  0.357342  0.276200  1
  Al  Al31  1  0.254337  0.959913  0.320972  1
  Al  Al32  1  0.254337  0.364440  0.351397  1
  Al  Al33  1  0.254337  0.568908  0.293479  1
  Al  Al34  1  0.254337  0.122403  0.347552  1
  Al  Al35  1  0.254337  0.322443  0.291298  1
  Al  Al36  1  0.254337  0.717312  0.318435  1
  Al  Al37  1  0.754337  0.120803  0.420971  1
  Al  Al38  1  0.754337  0.314194  0.361258  1
  Al  Al39  1  0.754337  0.721277  0.392539  1
  Al  Al40  1  0.548799  0.179618  0.376940  1
  Al  Al41  1  0.546947  0.581938  0.410141  1
  Al  Al42  1  0.547045  0.986287  0.438293  1
  Al  Al43  1  0.959875  0.179618  0.376940  1
  Al  Al44  1  0.961728  0.581938  0.410141  1
  Al  Al45  1  0.961629  0.986287  0.438293  1
  Al  Al46  1  0.458318  0.053338  0.395293  1
  Al  Al47  1  0.457603  0.454146  0.426927  1
  Al  Al48  1  0.461484  0.650090  0.367620  1
  Al  Al49  1  0.553091  0.240714  0.438440  1
  Al  Al50  1  0.550076  0.433124  0.378365  1
  Al  Al51  1  0.549766  0.839763  0.407402  1
  Al  Al52  1  0.047840  0.903132  0.363734  1
  Al  Al53  1  0.048530  0.305782  0.395329  1
  Al  Al54  1  0.045674  0.712530  0.425517  1
  Al  Al55  1  0.955583  0.240714  0.438440  1
  Al  Al56  1  0.958598  0.433124  0.378365  1
  Al  Al57  1  0.958908  0.839763  0.407402  1
  Al  Al58  1  0.460834  0.903132  0.363734  1
  Al  Al59  1  0.460145  0.305782  0.395329  1
  Al  Al60  1  0.463001  0.712530  0.425517  1
  Al  Al61  1  0.050356  0.053338  0.395293  1
  Al  Al62  1  0.051072  0.454146  0.426927  1
  Al  Al63  1  0.047190  0.650090  0.367620  1
  Al  Al64  1  0.754337  0.961825  0.394143  1
  Al  Al65  1  0.754337  0.363136  0.425690  1
  Al  Al66  1  0.754337  0.557792  0.365667  1
  Al  Al67  1  0.254337  0.172331  0.411577  1
  Al  Al68  1  0.254337  0.573353  0.443281  1
  Al  Al69  1  0.254337  0.769288  0.381740  1
  Al  Al70  1  0.254337  0.331529  0.439495  1
  Al  Al71  1  0.254337  0.525400  0.380269  1
  Al  Al72  1  0.254337  0.929769  0.408200  1
  Al  Al73  1  0.754337  0.330925  0.513696  1
  Al  Al74  1  0.754337  0.525375  0.452984  1
  Al  Al75  1  0.754337  0.929653  0.482179  1
  Al  Al76  1  0.547039  0.388454  0.470062  1
  Al  Al77  1  0.546948  0.792673  0.499440  1
  Al  Al78  1  0.547075  0.196164  0.530500  1
  Al  Al79  1  0.961636  0.388454  0.470062  1
  Al  Al80  1  0.961727  0.792673  0.499440  1
  Al  Al81  1  0.961599  0.196164  0.530500  1
  Al  Al82  1  0.456339  0.261183  0.487174  1
  Al  Al83  1  0.460419  0.665542  0.517536  1
  Al  Al84  1  0.458568  0.859667  0.456433  1
  Al  Al85  1  0.550106  0.450456  0.529611  1
  Al  Al86  1  0.548255  0.644581  0.468508  1
  Al  Al87  1  0.552335  0.048940  0.498870  1
  Al  Al88  1  0.047075  0.113959  0.455544  1
  Al  Al89  1  0.046948  0.517450  0.486604  1
  Al  Al90  1  0.047039  0.921669  0.515982  1
  Al  Al91  1  0.958568  0.450456  0.529611  1
  Al  Al92  1  0.960419  0.644581  0.468508  1
  Al  Al93  1  0.956339  0.048940  0.498870  1
  Al  Al94  1  0.461599  0.113959  0.455544  1
  Al  Al95  1  0.461727  0.517450  0.486604  1
  Al  Al96  1  0.461636  0.921669  0.515982  1
  Al  Al97  1  0.052335  0.261183  0.487174  1
  Al  Al98  1  0.048255  0.665542  0.517536  1
  Al  Al99  1  0.050106  0.859667  0.456433  1
  Al  Al100  1  0.754337  0.170903  0.486239  1
  Al  Al101  1  0.754337  0.574052  0.516557  1
  Al  Al102  1  0.754337  0.768746  0.455582  1
  Al  Al103  1  0.254337  0.380470  0.503865  1
  Al  Al104  1  0.254337  0.784747  0.533060  1
  Al  Al105  1  0.254337  0.979197  0.472348  1
  Al  Al106  1  0.254337  0.541377  0.530462  1
  Al  Al107  1  0.254337  0.736071  0.469487  1
  Al  Al108  1  0.254337  0.139220  0.499805  1
  Al  Al109  1  0.754337  0.540834  0.604304  1
  Al  Al110  1  0.754337  0.736769  0.542763  1
  Al  Al111  1  0.754337  0.137791  0.574467  1
  Al  Al112  1  0.545674  0.597593  0.560527  1
  Al  Al113  1  0.548530  1.004340  0.590715  1
  Al  Al114  1  0.547840  0.406990  0.622310  1
  Al  Al115  1  0.963001  0.597593  0.560527  1
  Al  Al116  1  0.960145  1.004340  0.590715  1
  Al  Al117  1  0.960834  0.406990  0.622310  1
  Al  Al118  1  0.458908  0.470359  0.578642  1
  Al  Al119  1  0.458598  0.876998  0.607679  1
  Al  Al120  1  0.455583  0.069408  0.547604  1
  Al  Al121  1  0.547190  0.660033  0.618424  1
  Al  Al122  1  0.551072  0.855976  0.559117  1
  Al  Al123  1  0.550356  0.256785  0.590752  1
  Al  Al124  1  0.047045  0.323835  0.547751  1
  Al  Al125  1  0.046947  0.728185  0.575903  1
  Al  Al126  1  0.048799  0.130504  0.609104  1
  Al  Al127  1  0.961484  0.660033  0.618424  1
  Al  Al128  1  0.957603  0.855976  0.559117  1
  Al  Al129  1  0.958318  0.256785  0.590752  1
  Al  Al130  1  0.461629  0.323835  0.547751  1
  Al  Al131  1  0.461728  0.728185  0.575903  1
  Al  Al132  1  0.459875  0.130504  0.609104  1
  Al  Al133  1  0.049766  0.470359  0.578642  1
  Al  Al134  1  0.050076  0.876998  0.607679  1
  Al  Al135  1  0.053091  0.069408  0.547604  1
  Al  Al136  1  0.754337  0.380353  0.577844  1
  Al  Al137  1  0.754337  0.784723  0.605775  1
  Al  Al138  1  0.754337  0.978593  0.546550  1
  Al  Al139  1  0.254337  0.588845  0.593505  1
  Al  Al140  1  0.254337  0.995928  0.624786  1
  Al  Al141  1  0.254337  0.189320  0.565073  1
  Al  Al142  1  0.254337  0.752330  0.620377  1
  Al  Al143  1  0.254337  0.946986  0.560354  1
  Al  Al144  1  0.254337  0.348297  0.591901  1
  Al  Al145  1  0.754337  0.741214  0.692565  1
  Al  Al146  1  0.754337  0.945683  0.634647  1
  Al  Al147  1  0.754337  0.350210  0.665072  1
  Al  Al148  1  0.543868  0.806682  0.649966  1
  Al  Al149  1  0.549736  0.210310  0.681323  1
  Al  Al150  1  0.549054  0.619461  0.711253  1
  Al  Al151  1  0.964807  0.806682  0.649966  1
  Al  Al152  1  0.958939  0.210310  0.681323  1
  Al  Al153  1  0.959620  0.619461  0.711253  1
  Al  Al154  1  0.456516  0.681530  0.667248  1
  Al  Al155  1  0.451562  0.080633  0.701681  1
  Al  Al156  1  0.461875  0.280153  0.639381  1
  Al  Al157  1  0.557226  0.859605  0.710371  1
  Al  Al158  1  0.554422  0.064855  0.652430  1
  Al  Al159  1  0.546491  0.469805  0.681875  1
  Al  Al160  1  0.045607  0.535363  0.638354  1
  Al  Al161  1  0.045510  0.934613  0.667463  1
  Al  Al162  1  0.055863  0.339321  0.699311  1
  Al  Al163  1  0.951449  0.859605  0.710371  1
  Al  Al164  1  0.954253  0.064855  0.652430  1
  Al  Al165  1  0.962183  0.469805  0.681875  1
  Al  Al166  1  0.463067  0.535363  0.638354  1
  Al  Al167  1  0.463164  0.934613  0.667463  1
  Al  Al168  1  0.452811  0.339321  0.699311  1
  Al  Al169  1  0.052158  0.681530  0.667248  1
  Al  Al170  1  0.057113  0.080633  0.701681  1
  Al  Al171  1  0.046799  0.280153  0.639381  1
  Al  Al172  1  0.754337  0.592810  0.667609  1
  Al  Al173  1  0.754337  0.987680  0.694746  1
  Al  Al174  1  0.754337  0.187719  0.638492  1
  Al  Al175  1  0.254337  0.806664  0.684523  1
  Al  Al176  1  0.254337  0.207360  0.712780  1
  Al  Al177  1  0.254337  0.400426  0.656404  1
  Al  Al178  1  0.254337  0.952780  0.709844  1
  Al  Al179  1  0.254337  0.153812  0.653742  1
  Al  Al180  1  0.254337  0.564089  0.681195  1
  Ni  Ni181  1  0.754337  0.039310  0.313201  1
  Ni  Ni182  1  0.754337  0.443039  0.343402  1
  Ni  Ni183  1  0.754337  0.628269  0.282007  1
  Ni  Ni184  1  0.754337  0.864959  0.284706  1
  Ni  Ni185  1  0.754337  0.278767  0.316666  1
  Ni  Ni186  1  0.754337  0.679947  0.348879  1
  Ni  Ni187  1  0.254337  0.832038  0.339667  1
  Ni  Ni188  1  0.254337  0.024592  0.280207  1
  Ni  Ni189  1  0.254337  0.438081  0.312059  1
  Ni  Ni190  1  0.254337  0.790798  0.275119  1
  Ni  Ni191  1  0.254337  0.195835  0.301369  1
  Ni  Ni192  1  0.254337  0.598511  0.338415  1
  Ni  Ni193  1  0.754337  0.248928  0.402306  1
  Ni  Ni194  1  0.754337  0.654342  0.433371  1
  Ni  Ni195  1  0.754337  0.846942  0.371493  1
  Ni  Ni196  1  0.754337  0.082748  0.375870  1
  Ni  Ni197  1  0.754337  0.485156  0.408608  1
  Ni  Ni198  1  0.754337  0.890049  0.437863  1
  Ni  Ni199  1  0.254337  0.044203  0.430981  1
  Ni  Ni200  1  0.254337  0.236598  0.370100  1
  Ni  Ni201  1  0.254337  0.640358  0.402426  1
  Ni  Ni202  1  0.254337  1.000359  0.365275  1
  Ni  Ni203  1  0.254337  0.402631  0.396177  1
  Ni  Ni204  1  0.254337  0.808488  0.426143  1
  Ni  Ni205  1  0.754337  0.459356  0.494081  1
  Ni  Ni206  1  0.754337  0.864633  0.523357  1
  Ni  Ni207  1  0.754337  0.057193  0.462734  1
  Ni  Ni208  1  0.754337  0.292349  0.469243  1
  Ni  Ni209  1  0.754337  0.695650  0.498515  1
  Ni  Ni210  1  0.754337  0.100144  0.529775  1
  Ni  Ni211  1  0.254337  0.252930  0.523310  1
  Ni  Ni212  1  0.254337  0.445489  0.462687  1
  Ni  Ni213  1  0.254337  0.850766  0.491963  1
  Ni  Ni214  1  0.254337  0.209979  0.456269  1
  Ni  Ni215  1  0.254337  0.614472  0.487529  1
  Ni  Ni216  1  0.254337  0.017773  0.516802  1
  Ni  Ni217  1  0.754337  0.669764  0.583618  1
  Ni  Ni218  1  0.754337  0.073524  0.615944  1
  Ni  Ni219  1  0.754337  0.265919  0.555063  1
  Ni  Ni220  1  0.754337  0.501634  0.559901  1
  Ni  Ni221  1  0.754337  0.907491  0.589867  1
  Ni  Ni222  1  0.754337  0.309763  0.620769  1
  Ni  Ni223  1  0.254337  0.463180  0.614551  1
  Ni  Ni224  1  0.254337  0.655780  0.552673  1
  Ni  Ni225  1  0.254337  0.061194  0.583739  1
  Ni  Ni226  1  0.254337  0.420073  0.548181  1
  Ni  Ni227  1  0.254337  0.824966  0.577436  1
  Ni  Ni228  1  0.254337  0.227374  0.610174  1
  Ni  Ni229  1  0.754337  0.872041  0.673986  1
  Ni  Ni230  1  0.754337  0.285531  0.705837  1
  Ni  Ni231  1  0.754337  0.478084  0.646377  1
  Ni  Ni232  1  0.754337  0.711611  0.647629  1
  Ni  Ni233  1  0.754337  0.114288  0.684675  1
  Ni  Ni234  1  0.754337  0.519324  0.710925  1
  Ni  Ni235  1  0.254337  0.681853  0.704037  1
  Ni  Ni236  1  0.254337  0.867083  0.642643  1
  Ni  Ni237  1  0.254337  0.270812  0.672843  1
  Ni  Ni238  1  0.254337  0.630176  0.637166  1
  Ni  Ni239  1  0.254337  0.031355  0.669378  1
  Ni  Ni240  1  0.254337  0.445164  0.701338  1
