# generated using pymatgen
data_Al3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.30464125
_cell_length_b   25.83656416
_cell_length_c   52.91328162
_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   7251.96124302
_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  0.130930  0.957891  0.327719  1
  Al  Al2  1  0.113768  0.277443  0.354160  1
  Al  Al3  1  0.125122  0.636644  0.290797  1
  Al  Al4  1  0.660213  0.054166  0.301929  1
  Al  Al5  1  0.650507  0.366338  0.334308  1
  Al  Al6  1  0.646383  0.721048  0.275376  1
  Al  Al7  1  0.641053  0.887065  0.287442  1
  Al  Al8  1  0.646180  0.211210  0.319968  1
  Al  Al9  1  0.641710  0.533499  0.350252  1
  Al  Al10  1  0.142851  0.070615  0.289318  1
  Al  Al11  1  0.153517  0.374456  0.330770  1
  Al  Al12  1  0.163351  0.741456  0.271628  1
  Al  Al13  1  0.860724  0.025581  0.350728  1
  Al  Al14  1  0.124810  0.321708  0.269760  1
  Al  Al15  1  0.882523  0.706226  0.321004  1
  Al  Al16  1  0.857888  0.230282  0.272240  1
  Al  Al17  1  0.378853  0.544224  0.292548  1
  Al  Al18  1  0.376301  0.869798  0.332118  1
  Al  Al19  1  0.873759  0.873650  0.335757  1
  Al  Al20  1  0.630114  0.326492  0.269905  1
  Al  Al21  1  0.873473  0.552299  0.304411  1
  Al  Al22  1  0.361650  0.041827  0.343468  1
  Al  Al23  1  0.345390  0.417639  0.277911  1
  Al  Al24  1  0.375752  0.711755  0.318261  1
  Al  Al25  1  0.134820  0.207101  0.314076  1
  Al  Al26  1  0.142752  0.530970  0.346522  1
  Al  Al27  1  0.143774  0.882963  0.282784  1
  Al  Al28  1  0.391329  0.978082  0.282857  1
  Al  Al29  1  0.390524  0.294388  0.311075  1
  Al  Al30  1  0.387927  0.617199  0.339912  1
  Al  Al31  1  0.935866  0.118165  0.333037  1
  Al  Al32  1  0.900315  0.471173  0.271186  1
  Al  Al33  1  0.891241  0.800815  0.299872  1
  Al  Al34  1  0.387543  0.162965  0.276256  1
  Al  Al35  1  0.612192  0.459831  0.314135  1
  Al  Al36  1  0.618707  0.783748  0.344339  1
  Al  Al37  1  0.123523  0.922071  0.415655  1
  Al  Al38  1  0.121816  0.244061  0.445550  1
  Al  Al39  1  0.118355  0.600391  0.384983  1
  Al  Al40  1  0.646145  0.009997  0.396566  1
  Al  Al41  1  0.641883  0.331311  0.425952  1
  Al  Al42  1  0.640726  0.688159  0.365819  1
  Al  Al43  1  0.643523  0.854792  0.381869  1
  Al  Al44  1  0.642892  0.176435  0.411987  1
  Al  Al45  1  0.642474  0.497441  0.441622  1
  Al  Al46  1  0.147596  0.015737  0.393065  1
  Al  Al47  1  0.142514  0.338504  0.422716  1
  Al  Al48  1  0.140677  0.696015  0.363283  1
  Al  Al49  1  0.879444  0.992503  0.441788  1
  Al  Al50  1  0.875811  0.348887  0.380169  1
  Al  Al51  1  0.875556  0.670522  0.411212  1
  Al  Al52  1  0.369812  0.187380  0.360620  1
  Al  Al53  1  0.376895  0.511253  0.392178  1
  Al  Al54  1  0.377627  0.833040  0.423107  1
  Al  Al55  1  0.877833  0.837203  0.427189  1
  Al  Al56  1  0.868811  0.194121  0.366865  1
  Al  Al57  1  0.876036  0.515100  0.395998  1
  Al  Al58  1  0.379297  0.999552  0.438841  1
  Al  Al59  1  0.375297  0.355936  0.376907  1
  Al  Al60  1  0.376032  0.677439  0.408209  1
  Al  Al61  1  0.143878  0.173380  0.408087  1
  Al  Al62  1  0.141919  0.493186  0.437404  1
  Al  Al63  1  0.143320  0.850609  0.377595  1
  Al  Al64  1  0.407080  0.940740  0.370053  1
  Al  Al65  1  0.398512  0.261067  0.399335  1
  Al  Al66  1  0.397843  0.582417  0.430274  1
  Al  Al67  1  0.902130  0.087217  0.419460  1
  Al  Al68  1  0.901519  0.444018  0.357865  1
  Al  Al69  1  0.897188  0.765770  0.389327  1
  Al  Al70  1  0.619187  0.103814  0.374318  1
  Al  Al71  1  0.620967  0.425954  0.403411  1
  Al  Al72  1  0.620464  0.747826  0.434402  1
  Al  Al73  1  0.122009  0.887049  0.506303  1
  Al  Al74  1  0.122545  0.208835  0.536740  1
  Al  Al75  1  0.119862  0.564755  0.475548  1
  Al  Al76  1  0.644625  0.975097  0.487115  1
  Al  Al77  1  0.644232  0.296191  0.517407  1
  Al  Al78  1  0.642445  0.652649  0.456464  1
  Al  Al79  1  0.643539  0.819536  0.472389  1
  Al  Al80  1  0.644819  0.141598  0.502985  1
  Al  Al81  1  0.642407  0.462458  0.532596  1
  Al  Al82  1  0.144512  0.982097  0.484125  1
  Al  Al83  1  0.144288  0.303309  0.514162  1
  Al  Al84  1  0.142418  0.659758  0.453460  1
  Al  Al85  1  0.878263  0.957454  0.532407  1
  Al  Al86  1  0.876394  0.313903  0.471705  1
  Al  Al87  1  0.876169  0.635116  0.501742  1
  Al  Al88  1  0.378275  0.154755  0.453271  1
  Al  Al89  1  0.375863  0.475614  0.482882  1
  Al  Al90  1  0.377142  0.797676  0.513478  1
  Al  Al91  1  0.877179  0.801931  0.517566  1
  Al  Al92  1  0.878154  0.159067  0.457414  1
  Al  Al93  1  0.875830  0.479878  0.487160  1
  Al  Al94  1  0.378236  0.964563  0.529403  1
  Al  Al95  1  0.376450  0.321022  0.468460  1
  Al  Al96  1  0.376057  0.642115  0.498752  1
  Al  Al97  1  0.144852  0.137334  0.498706  1
  Al  Al98  1  0.142527  0.458146  0.528453  1
  Al  Al99  1  0.143503  0.815282  0.468301  1
  Al  Al100  1  0.399932  0.904635  0.461078  1
  Al  Al101  1  0.400256  0.226359  0.491094  1
  Al  Al102  1  0.397392  0.547255  0.520940  1
  Al  Al103  1  0.900819  0.052458  0.510319  1
  Al  Al104  1  0.898136  0.408378  0.449127  1
  Al  Al105  1  0.898672  0.730163  0.479564  1
  Al  Al106  1  0.623290  0.069958  0.464927  1
  Al  Al107  1  0.620426  0.390853  0.494772  1
  Al  Al108  1  0.620749  0.712578  0.524789  1
  Al  Al109  1  0.123493  0.851443  0.596540  1
  Al  Al110  1  0.119162  0.173194  0.628002  1
  Al  Al111  1  0.118552  0.529995  0.566407  1
  Al  Al112  1  0.644649  0.939773  0.577658  1
  Al  Al113  1  0.645385  0.261277  0.608960  1
  Al  Al114  1  0.641385  0.617660  0.547026  1
  Al  Al115  1  0.643055  0.784173  0.562760  1
  Al  Al116  1  0.643787  0.105959  0.593689  1
  Al  Al117  1  0.650869  0.429833  0.625247  1
  Al  Al118  1  0.145126  0.946690  0.574655  1
  Al  Al119  1  0.144871  0.268325  0.605698  1
  Al  Al120  1  0.141237  0.624709  0.544079  1
  Al  Al121  1  0.880005  0.921197  0.622584  1
  Al  Al122  1  0.878167  0.278708  0.563151  1
  Al  Al123  1  0.873085  0.601475  0.592802  1
  Al  Al124  1  0.378208  0.119772  0.544245  1
  Al  Al125  1  0.377789  0.440777  0.573880  1
  Al  Al126  1  0.377159  0.762421  0.603998  1
  Al  Al127  1  0.877362  0.766603  0.608271  1
  Al  Al128  1  0.878762  0.124027  0.548463  1
  Al  Al129  1  0.876803  0.443832  0.577780  1
  Al  Al130  1  0.379956  0.929053  0.620047  1
  Al  Al131  1  0.378799  0.285901  0.559915  1
  Al  Al132  1  0.374536  0.607216  0.589301  1
  Al  Al133  1  0.144645  0.102113  0.589869  1
  Al  Al134  1  0.151871  0.423092  0.619002  1
  Al  Al135  1  0.142849  0.780009  0.558678  1
  Al  Al136  1  0.400217  0.869387  0.551465  1
  Al  Al137  1  0.399714  0.191259  0.582456  1
  Al  Al138  1  0.401494  0.513398  0.611549  1
  Al  Al139  1  0.902326  0.016821  0.600884  1
  Al  Al140  1  0.898866  0.373152  0.540317  1
  Al  Al141  1  0.897158  0.695142  0.570212  1
  Al  Al142  1  0.622839  0.034796  0.555593  1
  Al  Al143  1  0.622170  0.356145  0.586532  1
  Al  Al144  1  0.613601  0.676473  0.615814  1
  Al  Al145  1  0.129440  0.816398  0.685995  1
  Al  Al146  1  0.120367  0.146039  0.714681  1
  Al  Al147  1  0.084816  0.499048  0.652830  1
  Al  Al148  1  0.644930  0.905457  0.667606  1
  Al  Al149  1  0.675291  0.199574  0.707956  1
  Al  Al150  1  0.659031  0.575386  0.642399  1
  Al  Al151  1  0.644381  0.747414  0.653749  1
  Al  Al152  1  0.641828  0.072988  0.693318  1
  Al  Al153  1  0.162793  0.386930  0.713626  1
  Al  Al154  1  0.138158  0.910986  0.664863  1
  Al  Al155  1  0.895872  0.295504  0.716107  1
  Al  Al156  1  0.159957  0.591631  0.635139  1
  Al  Al157  1  0.857330  0.875756  0.714239  1
  Al  Al158  1  0.867164  0.242756  0.655097  1
  Al  Al159  1  0.877831  0.546597  0.696548  1
  Al  Al160  1  0.378972  0.083714  0.635615  1
  Al  Al161  1  0.374501  0.406003  0.665899  1
  Al  Al162  1  0.379628  0.730148  0.698425  1
  Al  Al163  1  0.876908  0.734249  0.703083  1
  Al  Al164  1  0.877929  0.086242  0.639345  1
  Al  Al165  1  0.885862  0.410111  0.671791  1
  Al  Al166  1  0.374299  0.896165  0.710491  1
  Al  Al167  1  0.370174  0.250875  0.651559  1
  Al  Al168  1  0.360469  0.563046  0.683938  1
  Al  Al169  1  0.147208  0.064914  0.681456  1
  Al  Al170  1  0.390567  0.290721  0.715962  1
  Al  Al171  1  0.146922  0.743563  0.650110  1
  Al  Al172  1  0.401975  0.833464  0.641528  1
  Al  Al173  1  0.408489  0.157381  0.671731  1
  Al  Al174  1  0.633138  0.454247  0.709611  1
  Al  Al175  1  0.895559  0.980568  0.695070  1
  Al  Al176  1  0.906914  0.339769  0.631707  1
  Al  Al177  1  0.889752  0.659321  0.658148  1
  Al  Al178  1  0.632754  1.000013  0.645955  1
  Al  Al179  1  0.630158  0.322825  0.674792  1
  Al  Al180  1  0.629352  0.639130  0.703010  1
  Ni  Ni181  1  0.624418  0.957099  0.326415  1
  Ni  Ni182  1  0.882292  0.389562  0.294430  1
  Ni  Ni183  1  0.629565  0.635136  0.300561  1
  Ni  Ni184  1  0.893178  0.972696  0.289472  1
  Ni  Ni185  1  0.885936  0.295714  0.310789  1
  Ni  Ni186  1  0.883613  0.617326  0.341665  1
  Ni  Ni187  1  0.408389  0.127095  0.322073  1
  Ni  Ni188  1  0.386372  0.445383  0.356270  1
  Ni  Ni189  1  0.396060  0.800705  0.300306  1
  Ni  Ni190  1  0.828007  0.144062  0.291122  1
  Ni  Ni191  1  0.121538  0.464594  0.313390  1
  Ni  Ni192  1  0.131755  0.784802  0.341620  1
  Ni  Ni193  1  0.635222  0.921270  0.417768  1
  Ni  Ni194  1  0.628871  0.277462  0.356333  1
  Ni  Ni195  1  0.631944  0.599374  0.386944  1
  Ni  Ni196  1  0.890005  0.938397  0.372373  1
  Ni  Ni197  1  0.886042  0.260690  0.402072  1
  Ni  Ni198  1  0.885940  0.581572  0.432119  1
  Ni  Ni199  1  0.388106  0.088081  0.417474  1
  Ni  Ni200  1  0.386159  0.409293  0.446953  1
  Ni  Ni201  1  0.385549  0.766488  0.387377  1
  Ni  Ni202  1  0.137058  0.104481  0.374634  1
  Ni  Ni203  1  0.133556  0.426914  0.401333  1
  Ni  Ni204  1  0.132956  0.748650  0.432469  1
  Ni  Ni205  1  0.634065  0.886314  0.508183  1
  Ni  Ni206  1  0.633652  0.243057  0.447624  1
  Ni  Ni207  1  0.632056  0.563958  0.477560  1
  Ni  Ni208  1  0.887961  0.903830  0.462982  1
  Ni  Ni209  1  0.888311  0.225523  0.493196  1
  Ni  Ni210  1  0.885572  0.546513  0.522946  1
  Ni  Ni211  1  0.388626  0.053254  0.508306  1
  Ni  Ni212  1  0.387030  0.374155  0.538243  1
  Ni  Ni213  1  0.386617  0.730899  0.477684  1
  Ni  Ni214  1  0.135110  0.070699  0.462921  1
  Ni  Ni215  1  0.132370  0.391689  0.492671  1
  Ni  Ni216  1  0.132721  0.713382  0.522885  1
  Ni  Ni217  1  0.635133  0.850724  0.598490  1
  Ni  Ni218  1  0.634523  0.207919  0.538914  1
  Ni  Ni219  1  0.632576  0.529131  0.568393  1
  Ni  Ni220  1  0.887726  0.868562  0.553398  1
  Ni  Ni221  1  0.887125  0.190298  0.584533  1
  Ni  Ni222  1  0.883624  0.512731  0.611233  1
  Ni  Ni223  1  0.388737  0.017838  0.598923  1
  Ni  Ni224  1  0.391811  0.339750  0.629534  1
  Ni  Ni225  1  0.385460  0.695942  0.568099  1
  Ni  Ni226  1  0.134742  0.035640  0.553748  1
  Ni  Ni227  1  0.134639  0.356523  0.583795  1
  Ni  Ni228  1  0.130677  0.678815  0.613494  1
  Ni  Ni229  1  0.624622  0.816508  0.685561  1
  Ni  Ni230  1  0.634310  0.171829  0.629597  1
  Ni  Ni231  1  0.612293  0.490118  0.663794  1
  Ni  Ni232  1  0.888927  0.832411  0.644247  1
  Ni  Ni233  1  0.899144  0.152618  0.672477  1
  Ni  Ni234  1  0.192675  0.473150  0.694745  1
  Ni  Ni235  1  0.391116  0.982076  0.685305  1
  Ni  Ni236  1  0.138390  0.227650  0.691437  1
  Ni  Ni237  1  0.396264  0.660114  0.659452  1
  Ni  Ni238  1  0.137068  0.999886  0.644202  1
  Ni  Ni239  1  0.134745  0.321498  0.675078  1
  Ni  Ni240  1  0.127504  0.644516  0.696394  1
