# generated using pymatgen
data_Al3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.69826447
_cell_length_b   19.03997872
_cell_length_c   53.08865390
_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   7781.45838621
_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  0.909697  0.329636  1
  Al  Al2  1  0.754337  0.102764  0.273261  1
  Al  Al3  1  0.754337  0.503459  0.301517  1
  Al  Al4  1  0.555863  0.970802  0.286729  1
  Al  Al5  1  0.545510  0.375510  0.318577  1
  Al  Al6  1  0.545606  0.774760  0.347686  1
  Al  Al7  1  0.952810  0.970802  0.286729  1
  Al  Al8  1  0.963163  0.375510  0.318577  1
  Al  Al9  1  0.963067  0.774760  0.347686  1
  Al  Al10  1  0.462183  0.840318  0.304166  1
  Al  Al11  1  0.454252  0.245268  0.333611  1
  Al  Al12  1  0.451448  0.450518  0.275670  1
  Al  Al13  1  0.546798  0.029970  0.346659  1
  Al  Al14  1  0.557112  0.229490  0.284360  1
  Al  Al15  1  0.552157  0.628593  0.318793  1
  Al  Al16  1  0.049053  0.690662  0.274788  1
  Al  Al17  1  0.049735  0.099813  0.304718  1
  Al  Al18  1  0.043867  0.503441  0.336074  1
  Al  Al19  1  0.961875  0.029970  0.346659  1
  Al  Al20  1  0.951561  0.229490  0.284360  1
  Al  Al21  1  0.956516  0.628593  0.318793  1
  Al  Al22  1  0.459620  0.690662  0.274788  1
  Al  Al23  1  0.458938  0.099813  0.304718  1
  Al  Al24  1  0.464806  0.503441  0.336074  1
  Al  Al25  1  0.046490  0.840318  0.304166  1
  Al  Al26  1  0.054421  0.245268  0.333611  1
  Al  Al27  1  0.057225  0.450518  0.275670  1
  Al  Al28  1  0.754337  0.746034  0.304846  1
  Al  Al29  1  0.754337  0.156311  0.332298  1
  Al  Al30  1  0.754337  0.357343  0.276197  1
  Al  Al31  1  0.254337  0.959913  0.320968  1
  Al  Al32  1  0.254337  0.364440  0.351393  1
  Al  Al33  1  0.254337  0.568909  0.293476  1
  Al  Al34  1  0.254337  0.122403  0.347548  1
  Al  Al35  1  0.254337  0.322443  0.291295  1
  Al  Al36  1  0.254337  0.717312  0.318431  1
  Al  Al37  1  0.754337  0.120803  0.420966  1
  Al  Al38  1  0.754337  0.314195  0.361254  1
  Al  Al39  1  0.754337  0.721278  0.392534  1
  Al  Al40  1  0.548799  0.179619  0.376936  1
  Al  Al41  1  0.546946  0.581938  0.410137  1
  Al  Al42  1  0.547044  0.986287  0.438288  1
  Al  Al43  1  0.959874  0.179619  0.376936  1
  Al  Al44  1  0.961727  0.581938  0.410137  1
  Al  Al45  1  0.961629  0.986287  0.438288  1
  Al  Al46  1  0.458318  0.053338  0.395288  1
  Al  Al47  1  0.457602  0.454146  0.426922  1
  Al  Al48  1  0.461484  0.650090  0.367615  1
  Al  Al49  1  0.553090  0.240714  0.438434  1
  Al  Al50  1  0.550075  0.433125  0.378360  1
  Al  Al51  1  0.549765  0.839764  0.407397  1
  Al  Al52  1  0.047839  0.903133  0.363730  1
  Al  Al53  1  0.048529  0.305782  0.395324  1
  Al  Al54  1  0.045673  0.712530  0.425512  1
  Al  Al55  1  0.955583  0.240714  0.438434  1
  Al  Al56  1  0.958598  0.433125  0.378360  1
  Al  Al57  1  0.958908  0.839764  0.407397  1
  Al  Al58  1  0.460834  0.903133  0.363730  1
  Al  Al59  1  0.460144  0.305782  0.395324  1
  Al  Al60  1  0.463000  0.712530  0.425512  1
  Al  Al61  1  0.050355  0.053338  0.395288  1
  Al  Al62  1  0.051071  0.454146  0.426922  1
  Al  Al63  1  0.047189  0.650090  0.367615  1
  Al  Al64  1  0.754337  0.961825  0.394138  1
  Al  Al65  1  0.754337  0.363136  0.425685  1
  Al  Al66  1  0.754337  0.557792  0.365663  1
  Al  Al67  1  0.254337  0.172331  0.411572  1
  Al  Al68  1  0.254337  0.573353  0.443276  1
  Al  Al69  1  0.254337  0.769288  0.381735  1
  Al  Al70  1  0.254337  0.331529  0.439489  1
  Al  Al71  1  0.254337  0.525400  0.380265  1
  Al  Al72  1  0.254337  0.929769  0.408195  1
  Al  Al73  1  0.754337  0.330925  0.513689  1
  Al  Al74  1  0.754337  0.525375  0.452978  1
  Al  Al75  1  0.754337  0.929653  0.482173  1
  Al  Al76  1  0.547038  0.388454  0.470057  1
  Al  Al77  1  0.546947  0.792672  0.499434  1
  Al  Al78  1  0.547074  0.196163  0.530493  1
  Al  Al79  1  0.961635  0.388454  0.470057  1
  Al  Al80  1  0.961726  0.792672  0.499434  1
  Al  Al81  1  0.961599  0.196163  0.530493  1
  Al  Al82  1  0.456339  0.261182  0.487168  1
  Al  Al83  1  0.460419  0.665541  0.517529  1
  Al  Al84  1  0.458568  0.859667  0.456427  1
  Al  Al85  1  0.550105  0.450456  0.529605  1
  Al  Al86  1  0.548254  0.644581  0.468503  1
  Al  Al87  1  0.552334  0.048940  0.498864  1
  Al  Al88  1  0.047074  0.113959  0.455539  1
  Al  Al89  1  0.046947  0.517450  0.486598  1
  Al  Al90  1  0.047038  0.921668  0.515975  1
  Al  Al91  1  0.958568  0.450456  0.529605  1
  Al  Al92  1  0.960419  0.644581  0.468503  1
  Al  Al93  1  0.956339  0.048940  0.498864  1
  Al  Al94  1  0.461599  0.113959  0.455539  1
  Al  Al95  1  0.461726  0.517450  0.486598  1
  Al  Al96  1  0.461635  0.921668  0.515975  1
  Al  Al97  1  0.052334  0.261182  0.487168  1
  Al  Al98  1  0.048254  0.665541  0.517529  1
  Al  Al99  1  0.050105  0.859667  0.456427  1
  Al  Al100  1  0.754337  0.170903  0.486233  1
  Al  Al101  1  0.754337  0.574051  0.516550  1
  Al  Al102  1  0.754337  0.768746  0.455576  1
  Al  Al103  1  0.254337  0.380469  0.503859  1
  Al  Al104  1  0.254337  0.784747  0.533054  1
  Al  Al105  1  0.254337  0.979197  0.472343  1
  Al  Al106  1  0.254337  0.541376  0.530455  1
  Al  Al107  1  0.254337  0.736071  0.469481  1
  Al  Al108  1  0.254337  0.139219  0.499799  1
  Al  Al109  1  0.754337  0.540834  0.604297  1
  Al  Al110  1  0.754337  0.736769  0.542756  1
  Al  Al111  1  0.754337  0.137791  0.574460  1
  Al  Al112  1  0.545673  0.597592  0.560520  1
  Al  Al113  1  0.548529  1.004340  0.590708  1
  Al  Al114  1  0.547839  0.406989  0.622302  1
  Al  Al115  1  0.963000  0.597592  0.560520  1
  Al  Al116  1  0.960144  1.004340  0.590708  1
  Al  Al117  1  0.960834  0.406989  0.622302  1
  Al  Al118  1  0.458908  0.470359  0.578635  1
  Al  Al119  1  0.458598  0.876998  0.607672  1
  Al  Al120  1  0.455583  0.069408  0.547597  1
  Al  Al121  1  0.547189  0.660032  0.618416  1
  Al  Al122  1  0.551071  0.855976  0.559110  1
  Al  Al123  1  0.550355  0.256784  0.590744  1
  Al  Al124  1  0.047044  0.323835  0.547744  1
  Al  Al125  1  0.046946  0.728184  0.575895  1
  Al  Al126  1  0.048799  0.130503  0.609096  1
  Al  Al127  1  0.961484  0.660032  0.618416  1
  Al  Al128  1  0.957602  0.855976  0.559110  1
  Al  Al129  1  0.958318  0.256784  0.590744  1
  Al  Al130  1  0.461629  0.323835  0.547744  1
  Al  Al131  1  0.461727  0.728184  0.575895  1
  Al  Al132  1  0.459874  0.130503  0.609096  1
  Al  Al133  1  0.049765  0.470359  0.578635  1
  Al  Al134  1  0.050075  0.876998  0.607672  1
  Al  Al135  1  0.053090  0.069408  0.547597  1
  Al  Al136  1  0.754337  0.380353  0.577836  1
  Al  Al137  1  0.754337  0.784722  0.605767  1
  Al  Al138  1  0.754337  0.978593  0.546543  1
  Al  Al139  1  0.254337  0.588845  0.593498  1
  Al  Al140  1  0.254337  0.995927  0.624778  1
  Al  Al141  1  0.254337  0.189319  0.565066  1
  Al  Al142  1  0.254337  0.752330  0.620369  1
  Al  Al143  1  0.254337  0.946986  0.560347  1
  Al  Al144  1  0.254337  0.348297  0.591894  1
  Al  Al145  1  0.754337  0.741213  0.692556  1
  Al  Al146  1  0.754337  0.945682  0.634639  1
  Al  Al147  1  0.754337  0.350209  0.665064  1
  Al  Al148  1  0.543867  0.806681  0.649958  1
  Al  Al149  1  0.549735  0.210309  0.681314  1
  Al  Al150  1  0.549053  0.619460  0.711244  1
  Al  Al151  1  0.964806  0.806681  0.649958  1
  Al  Al152  1  0.958938  0.210309  0.681314  1
  Al  Al153  1  0.959620  0.619460  0.711244  1
  Al  Al154  1  0.456516  0.681529  0.667239  1
  Al  Al155  1  0.451561  0.080632  0.701672  1
  Al  Al156  1  0.461875  0.280152  0.639373  1
  Al  Al157  1  0.557225  0.859604  0.710362  1
  Al  Al158  1  0.554421  0.064854  0.652421  1
  Al  Al159  1  0.546490  0.469804  0.681866  1
  Al  Al160  1  0.045606  0.535362  0.638346  1
  Al  Al161  1  0.045510  0.934613  0.667454  1
  Al  Al162  1  0.055863  0.339320  0.699302  1
  Al  Al163  1  0.951448  0.859604  0.710362  1
  Al  Al164  1  0.954252  0.064854  0.652421  1
  Al  Al165  1  0.962183  0.469804  0.681866  1
  Al  Al166  1  0.463067  0.535362  0.638346  1
  Al  Al167  1  0.463163  0.934613  0.667454  1
  Al  Al168  1  0.452810  0.339320  0.699302  1
  Al  Al169  1  0.052157  0.681529  0.667239  1
  Al  Al170  1  0.057112  0.080632  0.701672  1
  Al  Al171  1  0.046798  0.280152  0.639373  1
  Al  Al172  1  0.754337  0.592810  0.667601  1
  Al  Al173  1  0.754337  0.987679  0.694737  1
  Al  Al174  1  0.754337  0.187719  0.638484  1
  Al  Al175  1  0.254337  0.806663  0.684515  1
  Al  Al176  1  0.254337  0.207359  0.712771  1
  Al  Al177  1  0.254337  0.400425  0.656396  1
  Al  Al178  1  0.254337  0.952780  0.709835  1
  Al  Al179  1  0.254337  0.153811  0.653734  1
  Al  Al180  1  0.254337  0.564088  0.681186  1
  Ni  Ni181  1  0.754337  0.039311  0.313198  1
  Ni  Ni182  1  0.754337  0.443040  0.343398  1
  Ni  Ni183  1  0.754337  0.628270  0.282004  1
  Ni  Ni184  1  0.754337  0.864959  0.284703  1
  Ni  Ni185  1  0.754337  0.278768  0.316663  1
  Ni  Ni186  1  0.754337  0.679947  0.348874  1
  Ni  Ni187  1  0.254337  0.832039  0.339663  1
  Ni  Ni188  1  0.254337  0.024593  0.280204  1
  Ni  Ni189  1  0.254337  0.438082  0.312055  1
  Ni  Ni190  1  0.254337  0.790799  0.275116  1
  Ni  Ni191  1  0.254337  0.195835  0.301365  1
  Ni  Ni192  1  0.254337  0.598512  0.338411  1
  Ni  Ni193  1  0.754337  0.248929  0.402301  1
  Ni  Ni194  1  0.754337  0.654343  0.433366  1
  Ni  Ni195  1  0.754337  0.846942  0.371488  1
  Ni  Ni196  1  0.754337  0.082748  0.375865  1
  Ni  Ni197  1  0.754337  0.485156  0.408603  1
  Ni  Ni198  1  0.754337  0.890049  0.437858  1
  Ni  Ni199  1  0.254337  0.044203  0.430976  1
  Ni  Ni200  1  0.254337  0.236598  0.370096  1
  Ni  Ni201  1  0.254337  0.640358  0.402422  1
  Ni  Ni202  1  0.254337  1.000359  0.365271  1
  Ni  Ni203  1  0.254337  0.402631  0.396173  1
  Ni  Ni204  1  0.254337  0.808488  0.426138  1
  Ni  Ni205  1  0.754337  0.459356  0.494075  1
  Ni  Ni206  1  0.754337  0.864633  0.523350  1
  Ni  Ni207  1  0.754337  0.057193  0.462728  1
  Ni  Ni208  1  0.754337  0.292349  0.469237  1
  Ni  Ni209  1  0.754337  0.695650  0.498508  1
  Ni  Ni210  1  0.754337  0.100144  0.529768  1
  Ni  Ni211  1  0.254337  0.252929  0.523303  1
  Ni  Ni212  1  0.254337  0.445489  0.462681  1
  Ni  Ni213  1  0.254337  0.850766  0.491957  1
  Ni  Ni214  1  0.254337  0.209979  0.456264  1
  Ni  Ni215  1  0.254337  0.614472  0.487523  1
  Ni  Ni216  1  0.254337  0.017773  0.516795  1
  Ni  Ni217  1  0.754337  0.669764  0.583610  1
  Ni  Ni218  1  0.754337  0.073524  0.615936  1
  Ni  Ni219  1  0.754337  0.265919  0.555056  1
  Ni  Ni220  1  0.754337  0.501634  0.559894  1
  Ni  Ni221  1  0.754337  0.907491  0.589859  1
  Ni  Ni222  1  0.754337  0.309763  0.620761  1
  Ni  Ni223  1  0.254337  0.463180  0.614544  1
  Ni  Ni224  1  0.254337  0.655780  0.552666  1
  Ni  Ni225  1  0.254337  0.061194  0.583731  1
  Ni  Ni226  1  0.254337  0.420073  0.548174  1
  Ni  Ni227  1  0.254337  0.824966  0.577429  1
  Ni  Ni228  1  0.254337  0.227374  0.610167  1
  Ni  Ni229  1  0.754337  0.872040  0.673977  1
  Ni  Ni230  1  0.754337  0.285530  0.705828  1
  Ni  Ni231  1  0.754337  0.478083  0.646369  1
  Ni  Ni232  1  0.754337  0.711610  0.647621  1
  Ni  Ni233  1  0.754337  0.114287  0.684666  1
  Ni  Ni234  1  0.754337  0.519323  0.710916  1
  Ni  Ni235  1  0.254337  0.681852  0.704028  1
  Ni  Ni236  1  0.254337  0.867082  0.642634  1
  Ni  Ni237  1  0.254337  0.270811  0.672834  1
  Ni  Ni238  1  0.254337  0.630175  0.637158  1
  Ni  Ni239  1  0.254337  0.031355  0.669369  1
  Ni  Ni240  1  0.254337  0.445163  0.701329  1
