# generated using pymatgen
data_Al3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.31104488
_cell_length_b   27.17274338
_cell_length_c   50.24465968
_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   7251.09120977
_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  0.120931  0.553841  0.273813  1
  Al  Al2  1  0.130951  0.847711  0.334451  1
  Al  Al3  1  0.132687  0.197040  0.302129  1
  Al  Al4  1  0.647913  0.582828  0.350392  1
  Al  Al5  1  0.636544  0.937205  0.322578  1
  Al  Al6  1  0.665355  0.267196  0.284413  1
  Al  Al7  1  0.635117  0.439222  0.320617  1
  Al  Al8  1  0.639630  0.799242  0.290107  1
  Al  Al9  1  0.646076  0.088414  0.351897  1
  Al  Al10  1  0.152102  0.593577  0.346827  1
  Al  Al11  1  0.144300  0.943124  0.319956  1
  Al  Al12  1  0.174223  0.299647  0.284660  1
  Al  Al13  1  0.875435  0.614188  0.304968  1
  Al  Al14  1  0.873881  0.966723  0.276032  1
  Al  Al15  1  0.884690  0.257988  0.335107  1
  Al  Al16  1  0.385049  0.765974  0.335375  1
  Al  Al17  1  0.379105  0.111252  0.293331  1
  Al  Al18  1  0.380023  0.466621  0.270715  1
  Al  Al19  1  0.875280  0.468338  0.274640  1
  Al  Al20  1  0.881549  0.764396  0.335327  1
  Al  Al21  1  0.880060  0.113784  0.301975  1
  Al  Al22  1  0.381894  0.630058  0.293154  1
  Al  Al23  1  0.357145  0.986940  0.273131  1
  Al  Al24  1  0.384494  0.266254  0.331767  1
  Al  Al25  1  0.135115  0.798437  0.284157  1
  Al  Al26  1  0.145706  0.086393  0.347115  1
  Al  Al27  1  0.130423  0.440182  0.320919  1
  Al  Al28  1  0.386554  0.523032  0.321005  1
  Al  Al29  1  0.396051  0.884775  0.284403  1
  Al  Al30  1  0.390535  0.169153  0.350227  1
  Al  Al31  1  0.901149  0.706820  0.287675  1
  Al  Al32  1  0.902082  0.001984  0.353206  1
  Al  Al33  1  0.887428  0.351291  0.320631  1
  Al  Al34  1  0.611549  0.678103  0.335339  1
  Al  Al35  1  0.624148  0.031531  0.308885  1
  Al  Al36  1  0.609686  0.372205  0.275966  1
  Al  Al37  1  0.115331  0.494491  0.364528  1
  Al  Al38  1  0.119657  0.784791  0.424079  1
  Al  Al39  1  0.117691  0.139482  0.393712  1
  Al  Al40  1  0.642169  0.519732  0.441995  1
  Al  Al41  1  0.646500  0.873840  0.412468  1
  Al  Al42  1  0.647376  0.228244  0.381044  1
  Al  Al43  1  0.642282  0.378696  0.412610  1
  Al  Al44  1  0.644604  0.733087  0.382181  1
  Al  Al45  1  0.643452  0.024526  0.443734  1
  Al  Al46  1  0.142060  0.527411  0.439355  1
  Al  Al47  1  0.144074  0.881353  0.410042  1
  Al  Al48  1  0.145733  0.236975  0.378878  1
  Al  Al49  1  0.871938  0.551635  0.396529  1
  Al  Al50  1  0.879285  0.905449  0.367032  1
  Al  Al51  1  0.876167  0.196661  0.426964  1
  Al  Al52  1  0.376268  0.699147  0.423057  1
  Al  Al53  1  0.377347  0.053820  0.393498  1
  Al  Al54  1  0.380318  0.407847  0.363813  1
  Al  Al55  1  0.876551  0.409640  0.367229  1
  Al  Al56  1  0.875806  0.701425  0.427918  1
  Al  Al57  1  0.876674  0.056283  0.398146  1
  Al  Al58  1  0.373775  0.559575  0.393592  1
  Al  Al59  1  0.379418  0.913119  0.365230  1
  Al  Al60  1  0.376716  0.204277  0.424212  1
  Al  Al61  1  0.139702  0.730383  0.377660  1
  Al  Al62  1  0.143486  0.022045  0.439125  1
  Al  Al63  1  0.141615  0.375706  0.407891  1
  Al  Al64  1  0.398590  0.462540  0.408866  1
  Al  Al65  1  0.401666  0.816853  0.379901  1
  Al  Al66  1  0.399253  0.107996  0.439100  1
  Al  Al67  1  0.899232  0.647080  0.381391  1
  Al  Al68  1  0.900221  0.938469  0.443391  1
  Al  Al69  1  0.897873  0.292766  0.412146  1
  Al  Al70  1  0.619101  0.615887  0.427315  1
  Al  Al71  1  0.622885  0.970369  0.398200  1
  Al  Al72  1  0.620693  0.323344  0.365925  1
  Al  Al73  1  0.120085  0.430802  0.453924  1
  Al  Al74  1  0.121054  0.721462  0.514906  1
  Al  Al75  1  0.121063  0.076174  0.484700  1
  Al  Al76  1  0.641839  0.456214  0.532653  1
  Al  Al77  1  0.643328  0.810099  0.502986  1
  Al  Al78  1  0.642863  0.164891  0.472474  1
  Al  Al79  1  0.642168  0.315543  0.503370  1
  Al  Al80  1  0.643095  0.669877  0.473562  1
  Al  Al81  1  0.643307  0.960912  0.534542  1
  Al  Al82  1  0.141952  0.463833  0.530170  1
  Al  Al83  1  0.143310  0.817712  0.500536  1
  Al  Al84  1  0.142937  0.172527  0.469855  1
  Al  Al85  1  0.876141  0.487958  0.487321  1
  Al  Al86  1  0.877499  0.841836  0.457687  1
  Al  Al87  1  0.876514  0.133143  0.518002  1
  Al  Al88  1  0.376356  0.635792  0.514295  1
  Al  Al89  1  0.377283  0.990127  0.484488  1
  Al  Al90  1  0.376144  0.344757  0.453315  1
  Al  Al91  1  0.876168  0.347291  0.458022  1
  Al  Al92  1  0.876427  0.638228  0.519193  1
  Al  Al93  1  0.877185  0.992687  0.489156  1
  Al  Al94  1  0.376123  0.495571  0.484871  1
  Al  Al95  1  0.377612  0.849455  0.455205  1
  Al  Al96  1  0.376588  0.140779  0.515384  1
  Al  Al97  1  0.143024  0.667442  0.468664  1
  Al  Al98  1  0.143283  0.958378  0.529836  1
  Al  Al99  1  0.142266  0.312982  0.498701  1
  Al  Al100  1  0.397880  0.399053  0.499235  1
  Al  Al101  1  0.399059  0.753157  0.469403  1
  Al  Al102  1  0.399196  0.044408  0.530206  1
  Al  Al103  1  0.898397  0.584207  0.472952  1
  Al  Al104  1  0.899366  0.874867  0.533933  1
  Al  Al105  1  0.898388  0.229495  0.503157  1
  Al  Al106  1  0.620392  0.552512  0.518455  1
  Al  Al107  1  0.621570  0.906617  0.488622  1
  Al  Al108  1  0.620255  0.261262  0.457652  1
  Al  Al109  1  0.119230  0.367201  0.544467  1
  Al  Al110  1  0.120219  0.658589  0.606467  1
  Al  Al111  1  0.121578  0.012903  0.575711  1
  Al  Al112  1  0.640033  0.392550  0.622628  1
  Al  Al113  1  0.645676  0.746095  0.594265  1
  Al  Al114  1  0.642735  0.101392  0.563645  1
  Al  Al115  1  0.642104  0.251849  0.594360  1
  Al  Al116  1  0.643183  0.606523  0.564800  1
  Al  Al117  1  0.639133  0.897823  0.624045  1
  Al  Al118  1  0.140166  0.400220  0.620825  1
  Al  Al119  1  0.147513  0.754035  0.591329  1
  Al  Al120  1  0.143284  0.109008  0.560893  1
  Al  Al121  1  0.875377  0.424316  0.577815  1
  Al  Al122  1  0.877391  0.778258  0.548502  1
  Al  Al123  1  0.873718  0.068695  0.608980  1
  Al  Al124  1  0.374847  0.572582  0.605676  1
  Al  Al125  1  0.377168  0.926974  0.575247  1
  Al  Al126  1  0.375999  0.281144  0.544123  1
  Al  Al127  1  0.875965  0.283624  0.548733  1
  Al  Al128  1  0.879748  0.575287  0.610197  1
  Al  Al129  1  0.877836  0.929963  0.579967  1
  Al  Al130  1  0.372951  0.431829  0.575389  1
  Al  Al131  1  0.377282  0.785937  0.545862  1
  Al  Al132  1  0.372075  0.077425  0.606813  1
  Al  Al133  1  0.143645  0.604245  0.559939  1
  Al  Al134  1  0.142900  0.896029  0.620629  1
  Al  Al135  1  0.142777  0.249387  0.589712  1
  Al  Al136  1  0.396566  0.335300  0.589658  1
  Al  Al137  1  0.400350  0.689783  0.560542  1
  Al  Al138  1  0.398758  0.982326  0.621932  1
  Al  Al139  1  0.899794  0.520879  0.563778  1
  Al  Al140  1  0.904120  0.811179  0.623329  1
  Al  Al141  1  0.901760  0.166188  0.594145  1
  Al  Al142  1  0.617785  0.488817  0.607956  1
  Al  Al143  1  0.620861  0.843130  0.578992  1
  Al  Al144  1  0.620198  0.197674  0.548757  1
  Al  Al145  1  0.117369  0.303685  0.634651  1
  Al  Al146  1  0.118302  0.598849  0.700183  1
  Al  Al147  1  0.132023  0.954379  0.667226  1
  Al  Al148  1  0.662306  0.318729  0.714726  1
  Al  Al149  1  0.637557  0.675612  0.694703  1
  Al  Al150  1  0.634957  0.039415  0.656090  1
  Al  Al151  1  0.640346  0.194417  0.694526  1
  Al  Al152  1  0.634402  0.539695  0.652482  1
  Al  Al153  1  0.639428  0.839048  0.717142  1
  Al  Al154  1  0.145570  0.338947  0.711825  1
  Al  Al155  1  0.144016  0.691481  0.682889  1
  Al  Al156  1  0.134761  0.047682  0.652751  1
  Al  Al157  1  0.875151  0.362546  0.667901  1
  Al  Al158  1  0.867349  0.712092  0.641030  1
  Al  Al159  1  0.845228  0.006023  0.703198  1
  Al  Al160  1  0.379821  0.506428  0.697750  1
  Al  Al161  1  0.384334  0.866447  0.667240  1
  Al  Al162  1  0.373374  0.217255  0.635960  1
  Al  Al163  1  0.873745  0.219277  0.640742  1
  Al  Al164  1  0.884336  0.507233  0.703700  1
  Al  Al165  1  0.889028  0.865488  0.666938  1
  Al  Al166  1  0.382907  0.368465  0.665279  1
  Al  Al167  1  0.371538  0.722841  0.637465  1
  Al  Al168  1  0.354096  0.038474  0.703444  1
  Al  Al169  1  0.137902  0.541273  0.652531  1
  Al  Al170  1  0.144171  0.837332  0.713218  1
  Al  Al171  1  0.139391  0.191885  0.685882  1
  Al  Al172  1  0.395303  0.274139  0.678973  1
  Al  Al173  1  0.407902  0.627566  0.652518  1
  Al  Al174  1  0.409765  0.933464  0.711891  1
  Al  Al175  1  0.888500  0.457959  0.653406  1
  Al  Al176  1  0.898520  0.751829  0.714044  1
  Al  Al177  1  0.886764  0.108630  0.685729  1
  Al  Al178  1  0.623400  0.420894  0.703454  1
  Al  Al179  1  0.632897  0.782638  0.666853  1
  Al  Al180  1  0.628916  0.136517  0.637630  1
  Ni  Ni181  1  0.627370  0.547401  0.282252  1
  Ni  Ni182  1  0.637890  0.846706  0.335753  1
  Ni  Ni183  1  0.632983  0.191066  0.310928  1
  Ni  Ni184  1  0.886907  0.521779  0.320558  1
  Ni  Ni185  1  0.886721  0.878535  0.295264  1
  Ni  Ni186  1  0.893141  0.168233  0.349917  1
  Ni  Ni187  1  0.385739  0.719632  0.294841  1
  Ni  Ni188  1  0.386778  0.003545  0.350736  1
  Ni  Ni189  1  0.380059  0.357025  0.320846  1
  Ni  Ni190  1  0.130558  0.682491  0.332902  1
  Ni  Ni191  1  0.123522  0.031318  0.308491  1
  Ni  Ni192  1  0.125234  0.388741  0.281856  1
  Ni  Ni193  1  0.631744  0.491873  0.364813  1
  Ni  Ni194  1  0.633398  0.783418  0.425929  1
  Ni  Ni195  1  0.632610  0.138213  0.395462  1
  Ni  Ni196  1  0.885134  0.460979  0.410590  1
  Ni  Ni197  1  0.888468  0.814936  0.380103  1
  Ni  Ni198  1  0.886767  0.106498  0.441164  1
  Ni  Ni199  1  0.387539  0.649436  0.379420  1
  Ni  Ni200  1  0.387668  0.939827  0.441441  1
  Ni  Ni201  1  0.387932  0.294377  0.410156  1
  Ni  Ni202  1  0.131732  0.617450  0.425247  1
  Ni  Ni203  1  0.135246  0.971701  0.396257  1
  Ni  Ni204  1  0.135286  0.325750  0.363490  1
  Ni  Ni205  1  0.632604  0.429400  0.455852  1
  Ni  Ni206  1  0.633562  0.720038  0.516928  1
  Ni  Ni207  1  0.633365  0.074726  0.486700  1
  Ni  Ni208  1  0.885361  0.397699  0.501154  1
  Ni  Ni209  1  0.886598  0.751692  0.471388  1
  Ni  Ni210  1  0.886605  0.042989  0.532233  1
  Ni  Ni211  1  0.385889  0.585631  0.470929  1
  Ni  Ni212  1  0.386847  0.876269  0.532006  1
  Ni  Ni213  1  0.386086  0.230943  0.501158  1
  Ni  Ni214  1  0.132853  0.553977  0.516470  1
  Ni  Ni215  1  0.134090  0.907971  0.486704  1
  Ni  Ni216  1  0.132846  0.262680  0.455624  1
  Ni  Ni217  1  0.631783  0.365842  0.546416  1
  Ni  Ni218  1  0.631912  0.656233  0.608437  1
  Ni  Ni219  1  0.631519  0.011293  0.577702  1
  Ni  Ni220  1  0.884205  0.333969  0.591600  1
  Ni  Ni221  1  0.887719  0.688220  0.562610  1
  Ni  Ni222  1  0.884165  0.979920  0.624367  1
  Ni  Ni223  1  0.386053  0.522252  0.561929  1
  Ni  Ni224  1  0.387707  0.813796  0.623044  1
  Ni  Ni225  1  0.386841  0.167456  0.592395  1
  Ni  Ni226  1  0.130983  0.490734  0.607754  1
  Ni  Ni227  1  0.134317  0.844691  0.577267  1
  Ni  Ni228  1  0.132684  0.199171  0.546694  1
  Ni  Ni229  1  0.632673  0.302125  0.637121  1
  Ni  Ni230  1  0.633712  0.586037  0.693017  1
  Ni  Ni231  1  0.639392  0.948645  0.667012  1
  Ni  Ni232  1  0.895929  0.274352  0.679367  1
  Ni  Ni233  1  0.888893  0.623178  0.654955  1
  Ni  Ni234  1  0.894217  0.916928  0.706001  1
  Ni  Ni235  1  0.381561  0.458964  0.652104  1
  Ni  Ni236  1  0.392081  0.758269  0.705606  1
  Ni  Ni237  1  0.386468  0.114604  0.676930  1
  Ni  Ni238  1  0.132730  0.427135  0.692594  1
  Ni  Ni239  1  0.132544  0.783890  0.667299  1
  Ni  Ni240  1  0.126310  0.137436  0.637941  1
