# generated using pymatgen
data_Al3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.45564214
_cell_length_b   22.51792621
_cell_length_c   52.84128570
_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   7681.41475757
_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  0.027009  0.927688  0.317396  1
  Al  Al2  1  0.032896  0.244284  0.344755  1
  Al  Al3  1  0.030613  0.607304  0.287601  1
  Al  Al4  1  0.193769  0.010726  0.274052  1
  Al  Al5  1  0.195930  0.333871  0.301200  1
  Al  Al6  1  0.183672  0.648869  0.334364  1
  Al  Al7  1  0.181172  0.840623  0.351756  1
  Al  Al8  1  0.193211  0.208263  0.291120  1
  Al  Al9  1  0.183579  0.524131  0.322983  1
  Al  Al10  1  0.320906  0.024131  0.322983  1
  Al  Al11  1  0.323312  0.340623  0.351756  1
  Al  Al12  1  0.311274  0.708263  0.291120  1
  Al  Al13  1  0.681664  0.978685  0.341567  1
  Al  Al14  1  0.641420  0.338696  0.282624  1
  Al  Al15  1  0.681657  0.662490  0.309691  1
  Al  Al16  1  0.822827  0.162490  0.309691  1
  Al  Al17  1  0.822821  0.478685  0.341567  1
  Al  Al18  1  0.863064  0.838696  0.282624  1
  Al  Al19  1  0.676781  0.853881  0.329689  1
  Al  Al20  1  0.688341  0.171167  0.359526  1
  Al  Al21  1  0.682543  0.536243  0.298374  1
  Al  Al22  1  0.821941  0.036243  0.298374  1
  Al  Al23  1  0.827703  0.353881  0.329689  1
  Al  Al24  1  0.816143  0.671167  0.359526  1
  Al  Al25  1  0.320813  0.148869  0.334364  1
  Al  Al26  1  0.310715  0.510726  0.274052  1
  Al  Al27  1  0.308554  0.833871  0.301200  1
  Al  Al28  1  0.543412  0.938778  0.291455  1
  Al  Al29  1  0.538476  0.255994  0.321204  1
  Al  Al30  1  0.529922  0.575466  0.348259  1
  Al  Al31  1  0.974562  0.075466  0.348259  1
  Al  Al32  1  0.961072  0.438778  0.291455  1
  Al  Al33  1  0.966009  0.755994  0.321204  1
  Al  Al34  1  0.473872  0.107304  0.287601  1
  Al  Al35  1  0.477475  0.427688  0.317396  1
  Al  Al36  1  0.471589  0.744284  0.344755  1
  Al  Al37  1  0.028508  0.879793  0.405533  1
  Al  Al38  1  0.027001  0.197406  0.436143  1
  Al  Al39  1  0.029704  0.562984  0.374766  1
  Al  Al40  1  0.180836  0.965881  0.364802  1
  Al  Al41  1  0.178749  0.284211  0.394379  1
  Al  Al42  1  0.181281  0.601680  0.424694  1
  Al  Al43  1  0.181716  0.795272  0.443152  1
  Al  Al44  1  0.176661  0.159583  0.382631  1
  Al  Al45  1  0.179863  0.477998  0.413055  1
  Al  Al46  1  0.324622  0.977998  0.413055  1
  Al  Al47  1  0.322769  0.295272  0.443152  1
  Al  Al48  1  0.327824  0.659583  0.382631  1
  Al  Al49  1  0.682913  0.930775  0.432997  1
  Al  Al50  1  0.684786  0.295649  0.371960  1
  Al  Al51  1  0.684979  0.613094  0.402502  1
  Al  Al52  1  0.819505  0.113094  0.402502  1
  Al  Al53  1  0.821572  0.430775  0.432997  1
  Al  Al54  1  0.819699  0.795649  0.371960  1
  Al  Al55  1  0.683510  0.806719  0.421122  1
  Al  Al56  1  0.681714  0.124468  0.451560  1
  Al  Al57  1  0.685093  0.489261  0.390519  1
  Al  Al58  1  0.819391  0.989261  0.390519  1
  Al  Al59  1  0.820974  0.306719  0.421122  1
  Al  Al60  1  0.822770  0.624468  0.451560  1
  Al  Al61  1  0.323203  0.101680  0.424694  1
  Al  Al62  1  0.323649  0.465881  0.364802  1
  Al  Al63  1  0.325736  0.784211  0.394379  1
  Al  Al64  1  0.527065  0.893404  0.379058  1
  Al  Al65  1  0.525806  0.210837  0.409358  1
  Al  Al66  1  0.527220  0.528719  0.440036  1
  Al  Al67  1  0.977264  0.028719  0.440036  1
  Al  Al68  1  0.977419  0.393404  0.379058  1
  Al  Al69  1  0.978679  0.710837  0.409358  1
  Al  Al70  1  0.474780  0.062984  0.374766  1
  Al  Al71  1  0.475977  0.379793  0.405533  1
  Al  Al72  1  0.477483  0.697406  0.436143  1
  Al  Al73  1  0.027936  0.832902  0.497008  1
  Al  Al74  1  0.027973  0.150574  0.527442  1
  Al  Al75  1  0.027321  0.515125  0.466654  1
  Al  Al76  1  0.181935  0.919332  0.455157  1
  Al  Al77  1  0.182031  0.237078  0.485571  1
  Al  Al78  1  0.181665  0.554740  0.516008  1
  Al  Al79  1  0.180813  0.748360  0.534464  1
  Al  Al80  1  0.181757  0.112949  0.473628  1
  Al  Al81  1  0.180992  0.430601  0.504070  1
  Al  Al82  1  0.323493  0.930601  0.504070  1
  Al  Al83  1  0.323671  0.248360  0.534464  1
  Al  Al84  1  0.322728  0.612949  0.473628  1
  Al  Al85  1  0.681757  0.883868  0.524312  1
  Al  Al86  1  0.680813  0.248457  0.463476  1
  Al  Al87  1  0.680992  0.566216  0.493870  1
  Al  Al88  1  0.823493  0.066216  0.493870  1
  Al  Al89  1  0.822728  0.383868  0.524312  1
  Al  Al90  1  0.823671  0.748457  0.463476  1
  Al  Al91  1  0.682031  0.759739  0.512370  1
  Al  Al92  1  0.681935  0.077484  0.542784  1
  Al  Al93  1  0.681665  0.442077  0.481932  1
  Al  Al94  1  0.822819  0.942077  0.481932  1
  Al  Al95  1  0.822453  0.259739  0.512370  1
  Al  Al96  1  0.822549  0.577484  0.542784  1
  Al  Al97  1  0.322819  0.054740  0.516008  1
  Al  Al98  1  0.322549  0.419332  0.455157  1
  Al  Al99  1  0.322453  0.737078  0.485571  1
  Al  Al100  1  0.527973  0.846242  0.470498  1
  Al  Al101  1  0.527936  0.163915  0.500932  1
  Al  Al102  1  0.527321  0.481692  0.531287  1
  Al  Al103  1  0.977164  0.981692  0.531287  1
  Al  Al104  1  0.976511  0.346242  0.470498  1
  Al  Al105  1  0.976549  0.663915  0.500932  1
  Al  Al106  1  0.477164  0.015125  0.466654  1
  Al  Al107  1  0.476549  0.332902  0.497008  1
  Al  Al108  1  0.476511  0.650574  0.527442  1
  Al  Al109  1  0.025806  0.785980  0.588582  1
  Al  Al110  1  0.027065  0.103413  0.618883  1
  Al  Al111  1  0.027220  0.468098  0.557904  1
  Al  Al112  1  0.181714  0.872348  0.546380  1
  Al  Al113  1  0.183510  0.190098  0.576819  1
  Al  Al114  1  0.185093  0.507556  0.607422  1
  Al  Al115  1  0.184786  0.701168  0.625980  1
  Al  Al116  1  0.182913  0.066041  0.564943  1
  Al  Al117  1  0.184979  0.383722  0.595438  1
  Al  Al118  1  0.319505  0.883722  0.595438  1
  Al  Al119  1  0.319699  0.201168  0.625980  1
  Al  Al120  1  0.321572  0.566041  0.564943  1
  Al  Al121  1  0.676661  0.837234  0.615309  1
  Al  Al122  1  0.681716  0.201545  0.554788  1
  Al  Al123  1  0.679863  0.518819  0.584886  1
  Al  Al124  1  0.824622  0.018819  0.584886  1
  Al  Al125  1  0.827824  0.337234  0.615309  1
  Al  Al126  1  0.822769  0.701545  0.554788  1
  Al  Al127  1  0.678749  0.712606  0.603561  1
  Al  Al128  1  0.680836  0.030936  0.633139  1
  Al  Al129  1  0.681281  0.395137  0.573246  1
  Al  Al130  1  0.823203  0.895137  0.573246  1
  Al  Al131  1  0.825736  0.212606  0.603561  1
  Al  Al132  1  0.823649  0.530936  0.633139  1
  Al  Al133  1  0.319391  0.007556  0.607422  1
  Al  Al134  1  0.322770  0.372348  0.546380  1
  Al  Al135  1  0.320974  0.690098  0.576819  1
  Al  Al136  1  0.527001  0.799411  0.561797  1
  Al  Al137  1  0.528508  0.117024  0.592407  1
  Al  Al138  1  0.529704  0.433833  0.623174  1
  Al  Al139  1  0.974780  0.933833  0.623174  1
  Al  Al140  1  0.977483  0.299411  0.561797  1
  Al  Al141  1  0.975977  0.617024  0.592407  1
  Al  Al142  1  0.477264  0.968098  0.557904  1
  Al  Al143  1  0.478679  0.285980  0.588582  1
  Al  Al144  1  0.477419  0.603413  0.618883  1
  Al  Al145  1  0.038476  0.740823  0.676736  1
  Al  Al146  1  0.043412  0.058039  0.706485  1
  Al  Al147  1  0.029922  0.421351  0.649681  1
  Al  Al148  1  0.188341  0.825650  0.638415  1
  Al  Al149  1  0.176781  0.142936  0.668251  1
  Al  Al150  1  0.182543  0.460574  0.699567  1
  Al  Al151  1  0.141420  0.658121  0.715317  1
  Al  Al152  1  0.181664  0.018131  0.656374  1
  Al  Al153  1  0.181657  0.334327  0.688250  1
  Al  Al154  1  0.322827  0.834327  0.688250  1
  Al  Al155  1  0.363064  0.158121  0.715317  1
  Al  Al156  1  0.322821  0.518131  0.656374  1
  Al  Al157  1  0.693211  0.788553  0.706821  1
  Al  Al158  1  0.681172  0.156194  0.646184  1
  Al  Al159  1  0.683579  0.472686  0.674958  1
  Al  Al160  1  0.820906  0.972686  0.674958  1
  Al  Al161  1  0.811274  0.288553  0.706821  1
  Al  Al162  1  0.823312  0.656194  0.646184  1
  Al  Al163  1  0.695930  0.662945  0.696741  1
  Al  Al164  1  0.693769  0.986091  0.723888  1
  Al  Al165  1  0.683672  0.347948  0.663576  1
  Al  Al166  1  0.820813  0.847948  0.663576  1
  Al  Al167  1  0.808554  0.162945  0.696741  1
  Al  Al168  1  0.810715  0.486091  0.723888  1
  Al  Al169  1  0.321941  0.960574  0.699567  1
  Al  Al170  1  0.316143  0.325650  0.638415  1
  Al  Al171  1  0.327703  0.642936  0.668251  1
  Al  Al172  1  0.532896  0.752533  0.653186  1
  Al  Al173  1  0.527009  0.069129  0.680544  1
  Al  Al174  1  0.530613  0.389513  0.710340  1
  Al  Al175  1  0.973872  0.889513  0.710340  1
  Al  Al176  1  0.971589  0.252533  0.653186  1
  Al  Al177  1  0.977475  0.569129  0.680544  1
  Al  Al178  1  0.474562  0.921351  0.649681  1
  Al  Al179  1  0.466009  0.240823  0.676736  1
  Al  Al180  1  0.461072  0.558039  0.706485  1
  Ni  Ni181  1  0.896351  0.945006  0.275756  1
  Ni  Ni182  1  0.888987  0.268525  0.302575  1
  Ni  Ni183  1  0.881977  0.585314  0.331236  1
  Ni  Ni184  1  0.382063  0.917428  0.332193  1
  Ni  Ni185  1  0.386391  0.234580  0.362867  1
  Ni  Ni186  1  0.386285  0.599872  0.302164  1
  Ni  Ni187  1  0.118200  0.099872  0.302164  1
  Ni  Ni188  1  0.122422  0.417428  0.332193  1
  Ni  Ni189  1  0.118093  0.734580  0.362867  1
  Ni  Ni190  1  0.622507  0.085314  0.331236  1
  Ni  Ni191  1  0.608133  0.445006  0.275756  1
  Ni  Ni192  1  0.615497  0.768525  0.302575  1
  Ni  Ni193  1  0.882514  0.901766  0.362411  1
  Ni  Ni194  1  0.881177  0.219566  0.393069  1
  Ni  Ni195  1  0.882780  0.537325  0.423672  1
  Ni  Ni196  1  0.384461  0.871300  0.422352  1
  Ni  Ni197  1  0.383082  0.188851  0.452668  1
  Ni  Ni198  1  0.385411  0.553458  0.391977  1
  Ni  Ni199  1  0.119073  0.053458  0.391977  1
  Ni  Ni200  1  0.120023  0.371300  0.422352  1
  Ni  Ni201  1  0.121403  0.688851  0.452668  1
  Ni  Ni202  1  0.621704  0.037325  0.423672  1
  Ni  Ni203  1  0.621971  0.401766  0.362411  1
  Ni  Ni204  1  0.623307  0.719566  0.393069  1
  Ni  Ni205  1  0.883988  0.854887  0.453946  1
  Ni  Ni206  1  0.883761  0.172681  0.484321  1
  Ni  Ni207  1  0.883203  0.490348  0.514758  1
  Ni  Ni208  1  0.383761  0.824135  0.513620  1
  Ni  Ni209  1  0.383988  0.141930  0.543995  1
  Ni  Ni210  1  0.383203  0.506469  0.483182  1
  Ni  Ni211  1  0.121282  0.006469  0.483182  1
  Ni  Ni212  1  0.120723  0.324135  0.513620  1
  Ni  Ni213  1  0.120496  0.641930  0.543995  1
  Ni  Ni214  1  0.621282  0.990348  0.514758  1
  Ni  Ni215  1  0.620496  0.354887  0.453946  1
  Ni  Ni216  1  0.620723  0.672681  0.484321  1
  Ni  Ni217  1  0.883082  0.807966  0.545273  1
  Ni  Ni218  1  0.884461  0.125517  0.575588  1
  Ni  Ni219  1  0.885411  0.443358  0.605963  1
  Ni  Ni220  1  0.381177  0.777250  0.604871  1
  Ni  Ni221  1  0.382514  0.095051  0.635530  1
  Ni  Ni222  1  0.382780  0.459492  0.574268  1
  Ni  Ni223  1  0.121704  0.959492  0.574268  1
  Ni  Ni224  1  0.123307  0.277250  0.604871  1
  Ni  Ni225  1  0.121971  0.595051  0.635530  1
  Ni  Ni226  1  0.619073  0.943358  0.605963  1
  Ni  Ni227  1  0.621403  0.307966  0.545273  1
  Ni  Ni228  1  0.620023  0.625517  0.575588  1
  Ni  Ni229  1  0.886391  0.762236  0.635073  1
  Ni  Ni230  1  0.882063  0.079389  0.665748  1
  Ni  Ni231  1  0.886285  0.396945  0.695776  1
  Ni  Ni232  1  0.388987  0.728291  0.695365  1
  Ni  Ni233  1  0.396351  0.051811  0.722185  1
  Ni  Ni234  1  0.381977  0.411502  0.666704  1
  Ni  Ni235  1  0.122507  0.911502  0.666704  1
  Ni  Ni236  1  0.115497  0.228291  0.695365  1
  Ni  Ni237  1  0.108133  0.551811  0.722185  1
  Ni  Ni238  1  0.618200  0.896945  0.695776  1
  Ni  Ni239  1  0.618093  0.262236  0.635073  1
  Ni  Ni240  1  0.622422  0.579389  0.665748  1
