# generated using pymatgen
data_Al3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.28160114
_cell_length_b   9.99245093
_cell_length_c   48.41940554
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   100.87540423
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni
_chemical_formula_sum   'Al180 Ni60'
_cell_volume   7260.88277691
_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  0.828507  0.221461  0.349386  1
  Al  Al2  1  0.438804  0.390513  0.286202  1
  Al  Al3  1  0.133271  0.311233  0.317495  1
  Al  Al4  1  0.910739  0.552873  0.313825  1
  Al  Al5  1  0.600551  0.470675  0.343701  1
  Al  Al6  1  0.197803  0.585806  0.274025  1
  Al  Al7  1  0.895232  0.353386  0.271303  1
  Al  Al8  1  0.552700  0.111809  0.300474  1
  Al  Al9  1  0.250217  0.027253  0.333076  1
  Al  Al10  1  0.878263  0.704523  0.271396  1
  Al  Al11  1  0.575284  0.627883  0.297845  1
  Al  Al12  1  0.262988  0.530471  0.332108  1
  Al  Al13  1  0.773593  0.455599  0.354548  1
  Al  Al14  1  0.373266  0.626073  0.288833  1
  Al  Al15  1  0.081202  0.547166  0.325009  1
  Al  Al16  1  0.783015  0.955436  0.353473  1
  Al  Al17  1  0.379515  0.129149  0.290178  1
  Al  Al18  1  0.080560  0.052370  0.324692  1
  Al  Al19  1  0.731188  0.104624  0.304147  1
  Al  Al20  1  0.421736  0.008386  0.337924  1
  Al  Al21  1  0.015521  0.171052  0.275863  1
  Al  Al22  1  0.744379  0.598200  0.304580  1
  Al  Al23  1  0.438765  0.517870  0.336066  1
  Al  Al24  1  0.050839  0.695679  0.274921  1
  Al  Al25  1  0.905487  0.065470  0.315919  1
  Al  Al26  1  0.612848  0.977924  0.343953  1
  Al  Al27  1  0.196102  0.140271  0.280220  1
  Al  Al28  1  0.008213  0.198134  0.359915  1
  Al  Al29  1  0.632664  0.361469  0.292931  1
  Al  Al30  1  0.314783  0.281078  0.329494  1
  Al  Al31  1  0.809636  0.919015  0.278084  1
  Al  Al32  1  0.493606  0.829921  0.309598  1
  Al  Al33  1  0.205745  0.754659  0.337878  1
  Al  Al34  1  0.626087  0.888287  0.274865  1
  Al  Al35  1  0.305702  0.853557  0.292466  1
  Al  Al36  1  0.023752  0.776746  0.329942  1
  Al  Al37  1  0.923014  0.964409  0.438434  1
  Al  Al38  1  0.529649  0.141858  0.375126  1
  Al  Al39  1  0.227231  0.054010  0.407773  1
  Al  Al40  1  0.992628  0.296251  0.408990  1
  Al  Al41  1  0.689265  0.208233  0.438048  1
  Al  Al42  1  0.297490  0.386026  0.377793  1
  Al  Al43  1  0.948453  0.938138  0.363946  1
  Al  Al44  1  0.645472  0.849499  0.393079  1
  Al  Al45  1  0.344082  0.762469  0.423712  1
  Al  Al46  1  0.959423  0.443889  0.363869  1
  Al  Al47  1  0.655471  0.353368  0.391828  1
  Al  Al48  1  0.355897  0.266439  0.422564  1
  Al  Al49  1  0.861685  0.188334  0.444847  1
  Al  Al50  1  0.470639  0.367145  0.381812  1
  Al  Al51  1  0.166463  0.278255  0.414197  1
  Al  Al52  1  0.873638  0.692973  0.443540  1
  Al  Al53  1  0.481655  0.870199  0.381160  1
  Al  Al54  1  0.178602  0.782031  0.413076  1
  Al  Al55  1  0.818415  0.831014  0.400777  1
  Al  Al56  1  0.516124  0.743634  0.429800  1
  Al  Al57  1  0.122819  0.920662  0.370282  1
  Al  Al58  1  0.828854  0.334169  0.400003  1
  Al  Al59  1  0.527320  0.246565  0.428207  1
  Al  Al60  1  0.133515  0.422931  0.369472  1
  Al  Al61  1  1.004261  0.799010  0.406990  1
  Al  Al62  1  0.699669  0.710721  0.436789  1
  Al  Al63  1  0.307901  0.889132  0.376259  1
  Al  Al64  1  0.101352  0.933873  0.448689  1
  Al  Al65  1  0.703711  0.109314  0.388218  1
  Al  Al66  1  0.405529  0.022511  0.417737  1
  Al  Al67  1  0.899584  0.667094  0.368545  1
  Al  Al68  1  0.597164  0.578954  0.397610  1
  Al  Al69  1  0.295141  0.491364  0.429004  1
  Al  Al70  1  0.724557  0.691526  0.357816  1
  Al  Al71  1  0.421258  0.609348  0.387297  1
  Al  Al72  1  0.116327  0.522018  0.418905  1
  Al  Al73  1  0.014778  0.699443  0.528336  1
  Al  Al74  1  0.618892  0.875296  0.468442  1
  Al  Al75  1  0.318141  0.788317  0.498359  1
  Al  Al76  1  0.084476  0.030910  0.498441  1
  Al  Al77  1  0.780249  0.942012  0.529009  1
  Al  Al78  1  0.387747  0.119808  0.467879  1
  Al  Al79  1  0.039764  0.673502  0.454638  1
  Al  Al80  1  0.735405  0.584446  0.484782  1
  Al  Al81  1  0.434051  0.496678  0.515013  1
  Al  Al82  1  0.051820  0.177122  0.453642  1
  Al  Al83  1  0.746970  0.087369  0.483736  1
  Al  Al84  1  0.445490  0.999865  0.513861  1
  Al  Al85  1  0.953425  0.923926  0.534749  1
  Al  Al86  1  0.559754  0.101182  0.474529  1
  Al  Al87  1  0.258274  0.013678  0.504655  1
  Al  Al88  1  0.965481  0.427545  0.533753  1
  Al  Al89  1  0.571193  0.604369  0.473378  1
  Al  Al90  1  0.269839  0.516601  0.503609  1
  Al  Al91  1  0.908803  0.566629  0.491030  1
  Al  Al92  1  0.605578  0.477566  0.521460  1
  Al  Al93  1  0.213838  0.655455  0.460531  1
  Al  Al94  1  0.920768  0.070137  0.489950  1
  Al  Al95  1  0.617497  0.981239  0.520512  1
  Al  Al96  1  0.224996  0.159036  0.459382  1
  Al  Al97  1  0.096441  0.534418  0.497361  1
  Al  Al98  1  0.791407  0.445593  0.527860  1
  Al  Al99  1  0.399666  0.623482  0.466931  1
  Al  Al100  1  0.193032  0.668254  0.539131  1
  Al  Al101  1  0.796667  0.844532  0.479180  1
  Al  Al102  1  0.494638  0.756099  0.509914  1
  Al  Al103  1  0.990466  0.401604  0.460055  1
  Al  Al104  1  0.687104  0.312730  0.490032  1
  Al  Al105  1  0.386352  0.225751  0.519949  1
  Al  Al106  1  0.812212  0.432793  0.449260  1
  Al  Al107  1  0.510607  0.344949  0.478477  1
  Al  Al108  1  0.208577  0.256515  0.509211  1
  Al  Al109  1  0.105660  0.433953  0.619846  1
  Al  Al110  1  0.710103  0.609683  0.559387  1
  Al  Al111  1  0.408080  0.522093  0.590781  1
  Al  Al112  1  0.176391  0.766878  0.588387  1
  Al  Al113  1  0.871730  0.678116  0.618919  1
  Al  Al114  1  0.477924  0.854482  0.560184  1
  Al  Al115  1  0.131606  0.408074  0.544851  1
  Al  Al116  1  0.826643  0.319017  0.575315  1
  Al  Al117  1  0.523589  0.230848  0.607231  1
  Al  Al118  1  0.143559  0.912713  0.543544  1
  Al  Al119  1  0.838781  0.822792  0.574194  1
  Al  Al120  1  0.534605  0.733903  0.606579  1
  Al  Al121  1  0.045821  0.657158  0.624522  1
  Al  Al122  1  0.649347  0.834608  0.565827  1
  Al  Al123  1  0.349773  0.747679  0.596562  1
  Al  Al124  1  0.056791  0.162910  0.624445  1
  Al  Al125  1  0.661162  0.338578  0.564679  1
  Al  Al126  1  0.359772  0.251548  0.595311  1
  Al  Al127  1  1.000984  0.302037  0.581401  1
  Al  Al128  1  0.697343  0.211915  0.612132  1
  Al  Al129  1  0.305576  0.390326  0.551602  1
  Al  Al130  1  0.012616  0.804796  0.579401  1
  Al  Al131  1  0.707754  0.715021  0.610598  1
  Al  Al132  1  0.315980  0.892814  0.550343  1
  Al  Al133  1  0.186829  0.270033  0.587614  1
  Al  Al134  1  0.882425  0.180385  0.618109  1
  Al  Al135  1  0.489120  0.357413  0.558591  1
  Al  Al136  1  0.280688  0.409521  0.630575  1
  Al  Al137  1  0.888917  0.579029  0.569486  1
  Al  Al138  1  0.583986  0.491699  0.601094  1
  Al  Al139  1  0.082231  0.136638  0.549956  1
  Al  Al140  1  0.778013  0.047037  0.580618  1
  Al  Al141  1  0.475595  0.959189  0.613265  1
  Al  Al142  1  0.903893  0.167174  0.539702  1
  Al  Al143  1  0.599715  0.078536  0.570654  1
  Al  Al144  1  0.301534  0.991733  0.600172  1
  Al  Al145  1  0.195608  0.182033  0.710307  1
  Al  Al146  1  0.799499  0.346388  0.650512  1
  Al  Al147  1  0.511639  0.271126  0.678793  1
  Al  Al148  1  0.260866  0.502847  0.683811  1
  Al  Al149  1  0.954406  0.405368  0.713470  1
  Al  Al150  1  0.566479  0.583178  0.652325  1
  Al  Al151  1  0.222229  0.145611  0.634918  1
  Al  Al152  1  0.924684  0.048677  0.663699  1
  Al  Al153  1  0.625729  0.971898  0.698213  1
  Al  Al154  1  0.231651  0.645448  0.633843  1
  Al  Al155  1  0.924042  0.553881  0.663381  1
  Al  Al156  1  0.631978  0.474974  0.699558  1
  Al  Al157  1  0.126981  0.396524  0.716994  1
  Al  Al158  1  0.742256  0.570577  0.656283  1
  Al  Al159  1  0.429961  0.473164  0.690546  1
  Al  Al160  1  0.110012  0.747661  0.717088  1
  Al  Al161  1  0.755027  0.073794  0.655315  1
  Al  Al162  1  0.452544  0.989238  0.687917  1
  Al  Al163  1  0.099758  0.035577  0.672472  1
  Al  Al164  1  0.809142  0.960776  0.708170  1
  Al  Al165  1  0.392396  0.123123  0.644438  1
  Al  Al166  1  0.094505  0.548174  0.674566  1
  Al  Al167  1  0.807442  0.515241  0.714366  1
  Al  Al168  1  0.404693  0.630372  0.644689  1
  Al  Al169  1  0.274056  0.996423  0.684244  1
  Al  Al170  1  0.989724  0.929995  0.712528  1
  Al  Al171  1  0.583508  0.092662  0.650467  1
  Al  Al172  1  0.379158  0.212760  0.713526  1
  Al  Al173  1  0.981492  0.324301  0.658448  1
  Al  Al174  1  0.699543  0.247490  0.695925  1
  Al  Al175  1  0.176738  0.879587  0.639005  1
  Al  Al176  1  0.871974  0.789814  0.670896  1
  Al  Al177  1  0.566440  0.710535  0.702189  1
  Al  Al178  1  0.997031  0.902914  0.628476  1
  Al  Al179  1  0.690462  0.819970  0.658897  1
  Al  Al180  1  0.372580  0.739578  0.695460  1
  Ni  Ni181  1  0.789459  0.352506  0.309109  1
  Ni  Ni182  1  0.480544  0.266833  0.332347  1
  Ni  Ni183  1  0.057111  0.427994  0.280810  1
  Ni  Ni184  1  0.959658  0.321796  0.317398  1
  Ni  Ni185  1  0.654420  0.243158  0.339851  1
  Ni  Ni186  1  0.267897  0.393193  0.288104  1
  Ni  Ni187  1  0.859271  0.798400  0.322131  1
  Ni  Ni188  1  0.558468  0.715995  0.350119  1
  Ni  Ni189  1  0.147575  0.889402  0.297988  1
  Ni  Ni190  1  0.692802  0.822206  0.316501  1
  Ni  Ni191  1  0.377333  0.736458  0.344263  1
  Ni  Ni192  1  0.984848  0.909355  0.289536  1
  Ni  Ni193  1  0.873790  0.090373  0.395569  1
  Ni  Ni194  1  0.571435  1.001703  0.425062  1
  Ni  Ni195  1  0.178051  0.181021  0.364584  1
  Ni  Ni196  1  0.048359  0.068215  0.402805  1
  Ni  Ni197  1  0.743000  0.980274  0.432263  1
  Ni  Ni198  1  0.352972  0.155270  0.371978  1
  Ni  Ni199  1  0.948015  0.541446  0.412450  1
  Ni  Ni200  1  0.644930  0.452580  0.441325  1
  Ni  Ni201  1  0.252825  0.629793  0.381546  1
  Ni  Ni202  1  0.774836  0.561869  0.405119  1
  Ni  Ni203  1  0.473539  0.474802  0.434246  1
  Ni  Ni204  1  0.079828  0.652150  0.374964  1
  Ni  Ni205  1  0.965108  0.825561  0.485674  1
  Ni  Ni206  1  0.661660  0.736234  0.516467  1
  Ni  Ni207  1  0.269266  0.914193  0.455381  1
  Ni  Ni208  1  0.139995  0.804429  0.492647  1
  Ni  Ni209  1  0.834854  0.714890  0.523191  1
  Ni  Ni210  1  0.442216  0.892646  0.462250  1
  Ni  Ni211  1  0.040136  0.275486  0.502717  1
  Ni  Ni212  1  0.735978  0.186854  0.533010  1
  Ni  Ni213  1  0.343584  0.364813  0.471924  1
  Ni  Ni214  1  0.865249  0.296618  0.495744  1
  Ni  Ni215  1  0.563028  0.208401  0.526141  1
  Ni  Ni216  1  0.170390  0.386157  0.465200  1
  Ni  Ni217  1  0.057229  0.559601  0.575941  1
  Ni  Ni218  1  0.752420  0.471254  0.606845  1
  Ni  Ni219  1  0.360314  0.648467  0.547066  1
  Ni  Ni220  1  0.230408  0.539178  0.583272  1
  Ni  Ni221  1  0.925416  0.448897  0.613427  1
  Ni  Ni222  1  0.531705  0.626245  0.554145  1
  Ni  Ni223  1  0.131455  0.010674  0.592822  1
  Ni  Ni224  1  0.827193  0.920026  0.623807  1
  Ni  Ni225  1  0.433809  0.099344  0.563329  1
  Ni  Ni226  1  0.956885  0.032832  0.585586  1
  Ni  Ni227  1  0.652273  0.945778  0.616413  1
  Ni  Ni228  1  0.262244  0.120773  0.556128  1
  Ni  Ni229  1  0.145973  0.302647  0.666259  1
  Ni  Ni230  1  0.857669  0.211645  0.690403  1
  Ni  Ni231  1  0.446776  0.385052  0.638272  1
  Ni  Ni232  1  0.312443  0.278842  0.671890  1
  Ni  Ni233  1  0.020396  0.191692  0.698854  1
  Ni  Ni234  1  0.627912  0.364589  0.644127  1
  Ni  Ni235  1  0.215785  0.748542  0.679282  1
  Ni  Ni236  1  0.948133  0.673054  0.707581  1
  Ni  Ni237  1  0.524700  0.834214  0.656044  1
  Ni  Ni238  1  0.045587  0.779251  0.670993  1
  Ni  Ni239  1  0.737347  0.707855  0.700287  1
  Ni  Ni240  1  0.350825  0.857889  0.648540  1
