# generated using pymatgen
data_Al3Ni2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.49051924
_cell_length_b   15.15216647
_cell_length_c   49.25644943
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   92.83107694
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni2
_chemical_formula_sum   'Al162 Ni108'
_cell_volume   7819.9583172
_cell_formula_units_Z   54
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  0.273029  0.274276  0.305996  1
  Al  Al2  1  0.235408  0.901508  0.276290  1
  Al  Al3  1  0.292009  0.551988  0.333005  1
  Al  Al4  1  0.606362  0.940943  0.305996  1
  Al  Al5  1  0.568742  0.568174  0.276290  1
  Al  Al6  1  0.939695  0.607610  0.305996  1
  Al  Al7  1  0.625343  0.218654  0.333005  1
  Al  Al8  1  0.902075  0.234841  0.276290  1
  Al  Al9  1  0.958676  0.885321  0.333005  1
  Al  Al10  1  0.507772  0.355288  0.308399  1
  Al  Al11  1  0.415271  0.047093  0.278228  1
  Al  Al12  1  0.517643  0.665040  0.331095  1
  Al  Al13  1  0.841105  0.021955  0.308399  1
  Al  Al14  1  0.748604  0.713760  0.278228  1
  Al  Al15  1  0.174439  0.688622  0.308399  1
  Al  Al16  1  0.850976  0.331707  0.331095  1
  Al  Al17  1  0.081938  0.380426  0.278228  1
  Al  Al18  1  0.184310  0.998374  0.331095  1
  Al  Al19  1  0.409991  0.098176  0.330793  1
  Al  Al20  1  0.390696  0.785296  0.304517  1
  Al  Al21  1  0.334054  0.456156  0.285916  1
  Al  Al22  1  0.743324  0.764842  0.330793  1
  Al  Al23  1  0.724029  0.451963  0.304517  1
  Al  Al24  1  0.076657  0.431509  0.330793  1
  Al  Al25  1  0.667388  0.122823  0.285916  1
  Al  Al26  1  0.057363  0.118630  0.304517  1
  Al  Al27  1  1.000721  0.789490  0.285916  1
  Al  Al28  1  0.334566  0.170074  0.382625  1
  Al  Al29  1  0.317003  0.855424  0.356418  1
  Al  Al30  1  0.359056  0.483793  0.408576  1
  Al  Al31  1  0.667900  0.836741  0.382625  1
  Al  Al32  1  0.650337  0.522091  0.356418  1
  Al  Al33  1  1.001233  0.503408  0.382625  1
  Al  Al34  1  0.692389  0.150459  0.408576  1
  Al  Al35  1  0.983670  0.188757  0.356418  1
  Al  Al36  1  0.025722  0.817126  0.408576  1
  Al  Al37  1  0.559770  0.288432  0.383361  1
  Al  Al38  1  0.531124  0.975591  0.358446  1
  Al  Al39  1  0.580876  0.599340  0.408884  1
  Al  Al40  1  0.893103  0.955099  0.383361  1
  Al  Al41  1  0.864457  0.642258  0.358446  1
  Al  Al42  1  0.226436  0.621765  0.383361  1
  Al  Al43  1  0.914210  0.266007  0.408884  1
  Al  Al44  1  0.197790  0.308925  0.358446  1
  Al  Al45  1  0.247543  0.932674  0.408884  1
  Al  Al46  1  0.469125  0.033156  0.408470  1
  Al  Al47  1  0.449815  0.722755  0.381381  1
  Al  Al48  1  0.420662  0.410020  0.356777  1
  Al  Al49  1  0.802458  0.699823  0.408470  1
  Al  Al50  1  0.783149  0.389422  0.381381  1
  Al  Al51  1  0.135791  0.366489  0.408470  1
  Al  Al52  1  0.753995  0.076687  0.356777  1
  Al  Al53  1  0.116482  0.056088  0.381381  1
  Al  Al54  1  0.087328  0.743354  0.356777  1
  Al  Al55  1  0.402362  0.106178  0.459774  1
  Al  Al56  1  0.380011  0.793320  0.434052  1
  Al  Al57  1  0.424498  0.417632  0.485486  1
  Al  Al58  1  0.735696  0.772844  0.459774  1
  Al  Al59  1  0.713344  0.459987  0.434052  1
  Al  Al60  1  0.069029  0.439511  0.459774  1
  Al  Al61  1  0.757831  0.084299  0.485486  1
  Al  Al62  1  0.046677  0.126653  0.434052  1
  Al  Al63  1  0.091164  0.750966  0.485486  1
  Al  Al64  1  0.624503  0.222312  0.460222  1
  Al  Al65  1  0.602576  0.910560  0.434581  1
  Al  Al66  1  0.646966  0.533733  0.485905  1
  Al  Al67  1  0.957836  0.888979  0.460222  1
  Al  Al68  1  0.935910  0.577227  0.434581  1
  Al  Al69  1  0.291170  0.555645  0.460222  1
  Al  Al70  1  0.980300  0.200400  0.485905  1
  Al  Al71  1  0.269243  0.243894  0.434581  1
  Al  Al72  1  0.313633  0.867066  0.485905  1
  Al  Al73  1  0.535753  0.967844  0.484978  1
  Al  Al74  1  0.513555  0.656257  0.459344  1
  Al  Al75  1  0.491281  0.344958  0.433587  1
  Al  Al76  1  0.869086  0.634511  0.484978  1
  Al  Al77  1  0.846888  0.322923  0.459344  1
  Al  Al78  1  0.202419  0.301178  0.484978  1
  Al  Al79  1  0.824614  0.011625  0.433587  1
  Al  Al80  1  0.180222  0.989590  0.459344  1
  Al  Al81  1  0.157948  0.678292  0.433587  1
  Al  Al82  1  0.468700  0.040175  0.536779  1
  Al  Al83  1  0.446564  0.728720  0.511067  1
  Al  Al84  1  0.491051  0.353032  0.562501  1
  Al  Al85  1  0.802033  0.706842  0.536779  1
  Al  Al86  1  0.779897  0.395387  0.511067  1
  Al  Al87  1  0.135366  0.373508  0.536779  1
  Al  Al88  1  0.824384  0.019699  0.562501  1
  Al  Al89  1  0.113231  0.062054  0.511067  1
  Al  Al90  1  0.157718  0.686366  0.562501  1
  Al  Al91  1  0.690840  0.156762  0.537209  1
  Al  Al92  1  0.668642  0.845175  0.511575  1
  Al  Al93  1  0.713114  0.468061  0.562966  1
  Al  Al94  1  0.024173  0.823429  0.537209  1
  Al  Al95  1  0.001976  0.511842  0.511575  1
  Al  Al96  1  0.357507  0.490096  0.537209  1
  Al  Al97  1  0.046447  0.134728  0.562966  1
  Al  Al98  1  0.335309  0.178508  0.511575  1
  Al  Al99  1  0.379781  0.801394  0.562966  1
  Al  Al100  1  0.601819  0.902459  0.561972  1
  Al  Al101  1  0.579892  0.590707  0.536332  1
  Al  Al102  1  0.557429  0.279286  0.510648  1
  Al  Al103  1  0.935152  0.569126  0.561972  1
  Al  Al104  1  0.913225  0.257374  0.536332  1
  Al  Al105  1  0.268485  0.235792  0.561972  1
  Al  Al106  1  0.890762  0.945953  0.510648  1
  Al  Al107  1  0.246559  0.924040  0.536332  1
  Al  Al108  1  0.224095  0.612619  0.510648  1
  Al  Al109  1  0.536495  0.976278  0.613928  1
  Al  Al110  1  0.512006  0.662560  0.587977  1
  Al  Al111  1  0.554058  0.290928  0.640135  1
  Al  Al112  1  0.869829  0.642945  0.613928  1
  Al  Al113  1  0.845340  0.329227  0.587977  1
  Al  Al114  1  0.203162  0.309612  0.613928  1
  Al  Al115  1  0.887392  0.957595  0.640135  1
  Al  Al116  1  0.178673  0.995893  0.587977  1
  Al  Al117  1  0.220725  0.624262  0.640135  1
  Al  Al118  1  0.754580  0.090264  0.615173  1
  Al  Al119  1  0.735271  0.779863  0.588083  1
  Al  Al120  1  0.783734  0.402999  0.639776  1
  Al  Al121  1  0.087913  0.756931  0.615173  1
  Al  Al122  1  0.068604  0.446530  0.588083  1
  Al  Al123  1  0.421246  0.423597  0.615173  1
  Al  Al124  1  0.117067  0.069666  0.639776  1
  Al  Al125  1  0.401937  0.113197  0.588083  1
  Al  Al126  1  0.450400  0.736332  0.639776  1
  Al  Al127  1  0.673271  0.837428  0.638107  1
  Al  Al128  1  0.644625  0.524587  0.613192  1
  Al  Al129  1  0.623519  0.213679  0.587670  1
  Al  Al130  1  0.006605  0.504095  0.638107  1
  Al  Al131  1  0.977959  0.191254  0.613192  1
  Al  Al132  1  0.339938  0.170761  0.638107  1
  Al  Al133  1  0.956852  0.880346  0.587670  1
  Al  Al134  1  0.311292  0.857921  0.613192  1
  Al  Al135  1  0.290185  0.547012  0.587670  1
  Al  Al136  1  0.598033  0.872076  0.690557  1
  Al  Al137  1  0.579052  0.594365  0.663548  1
  Al  Al138  1  0.635653  0.244845  0.720263  1
  Al  Al139  1  0.931366  0.538743  0.690557  1
  Al  Al140  1  0.912386  0.261032  0.663548  1
  Al  Al141  1  0.264700  0.205410  0.690557  1
  Al  Al142  1  0.968987  0.911511  0.720263  1
  Al  Al143  1  0.245719  0.927698  0.663548  1
  Al  Al144  1  0.302320  0.578178  0.720263  1
  Al  Al145  1  0.813699  0.027723  0.692036  1
  Al  Al146  1  0.794404  0.714843  0.665760  1
  Al  Al147  1  0.870341  0.356863  0.710638  1
  Al  Al148  1  0.147033  0.694389  0.692036  1
  Al  Al149  1  0.127738  0.381510  0.665760  1
  Al  Al150  1  0.480366  0.361056  0.692036  1
  Al  Al151  1  0.203674  0.023529  0.710638  1
  Al  Al152  1  0.461071  0.048177  0.665760  1
  Al  Al153  1  0.537008  0.690196  0.710638  1
  Al  Al154  1  0.789124  0.765926  0.718325  1
  Al  Al155  1  0.696623  0.457731  0.688154  1
  Al  Al156  1  0.686752  0.147979  0.665459  1
  Al  Al157  1  0.122458  0.432593  0.718325  1
  Al  Al158  1  0.029956  0.124398  0.688154  1
  Al  Al159  1  0.455791  0.099260  0.718325  1
  Al  Al160  1  0.020086  0.814645  0.665459  1
  Al  Al161  1  0.363290  0.791064  0.688154  1
  Al  Al162  1  0.353419  0.481312  0.665459  1
  Ni  Ni163  1  0.473074  0.202114  0.294402  1
  Ni  Ni164  1  0.469111  0.887212  0.269727  1
  Ni  Ni165  1  0.503529  0.509083  0.319842  1
  Ni  Ni166  1  0.806407  0.868780  0.294402  1
  Ni  Ni167  1  0.802444  0.553879  0.269727  1
  Ni  Ni168  1  0.139740  0.535447  0.294402  1
  Ni  Ni169  1  0.836863  0.175749  0.319842  1
  Ni  Ni170  1  0.135778  0.220546  0.269727  1
  Ni  Ni171  1  0.170196  0.842416  0.319842  1
  Ni  Ni172  1  0.411892  0.254687  0.344584  1
  Ni  Ni173  1  0.385056  0.940848  0.317152  1
  Ni  Ni174  1  0.367656  0.623875  0.291961  1
  Ni  Ni175  1  0.745225  0.921354  0.344584  1
  Ni  Ni176  1  0.718389  0.607514  0.317152  1
  Ni  Ni177  1  0.078558  0.588020  0.344584  1
  Ni  Ni178  1  0.700989  0.290541  0.291961  1
  Ni  Ni179  1  0.051723  0.274181  0.317152  1
  Ni  Ni180  1  0.034323  0.957208  0.291961  1
  Ni  Ni181  1  0.547067  0.131808  0.371016  1
  Ni  Ni182  1  0.532179  0.824218  0.342647  1
  Ni  Ni183  1  0.570550  0.443146  0.395846  1
  Ni  Ni184  1  0.880400  0.798475  0.371016  1
  Ni  Ni185  1  0.865512  0.490885  0.342647  1
  Ni  Ni186  1  0.213733  0.465141  0.371016  1
  Ni  Ni187  1  0.903884  0.109813  0.395846  1
  Ni  Ni188  1  0.198846  0.157552  0.342647  1
  Ni  Ni189  1  0.237217  0.776479  0.395846  1
  Ni  Ni190  1  0.479607  0.189603  0.420790  1
  Ni  Ni191  1  0.456895  0.877410  0.395366  1
  Ni  Ni192  1  0.439730  0.566912  0.369674  1
  Ni  Ni193  1  0.812940  0.856269  0.420790  1
  Ni  Ni194  1  0.790228  0.544077  0.395366  1
  Ni  Ni195  1  0.146273  0.522936  0.420790  1
  Ni  Ni196  1  0.773063  0.233578  0.369674  1
  Ni  Ni197  1  0.123562  0.210743  0.395366  1
  Ni  Ni198  1  0.106396  0.900245  0.369674  1
  Ni  Ni199  1  0.614379  0.066251  0.447409  1
  Ni  Ni200  1  0.591394  0.754519  0.421662  1
  Ni  Ni201  1  0.635925  0.377517  0.473046  1
  Ni  Ni202  1  0.947713  0.732917  0.447409  1
  Ni  Ni203  1  0.924728  0.421186  0.421662  1
  Ni  Ni204  1  0.281046  0.399584  0.447409  1
  Ni  Ni205  1  0.969258  0.044183  0.473046  1
  Ni  Ni206  1  0.258061  0.087852  0.421662  1
  Ni  Ni207  1  0.302592  0.710850  0.473046  1
  Ni  Ni208  1  0.546057  0.123908  0.497885  1
  Ni  Ni209  1  0.523915  0.812398  0.472181  1
  Ni  Ni210  1  0.502370  0.501000  0.446608  1
  Ni  Ni211  1  0.879390  0.790575  0.497885  1
  Ni  Ni212  1  0.857249  0.479065  0.472181  1
  Ni  Ni213  1  0.212723  0.457242  0.497885  1
  Ni  Ni214  1  0.835703  0.167667  0.446608  1
  Ni  Ni215  1  0.190582  0.145732  0.472181  1
  Ni  Ni216  1  0.169036  0.834334  0.446608  1
  Ni  Ni217  1  0.680480  1.000621  0.524373  1
  Ni  Ni218  1  0.658339  0.689111  0.498669  1
  Ni  Ni219  1  0.702025  0.312019  0.549945  1
  Ni  Ni220  1  0.013813  0.667287  0.524373  1
  Ni  Ni221  1  0.991672  0.355778  0.498669  1
  Ni  Ni222  1  0.347147  0.333954  0.524373  1
  Ni  Ni223  1  0.035359  0.978686  0.549945  1
  Ni  Ni224  1  0.325005  0.022444  0.498669  1
  Ni  Ni225  1  0.368692  0.645352  0.549945  1
  Ni  Ni226  1  0.613001  0.058500  0.574891  1
  Ni  Ni227  1  0.590016  0.746768  0.549144  1
  Ni  Ni228  1  0.568470  0.435502  0.523507  1
  Ni  Ni229  1  0.946334  0.725167  0.574891  1
  Ni  Ni230  1  0.923349  0.413435  0.549144  1
  Ni  Ni231  1  0.279668  0.391834  0.574891  1
  Ni  Ni232  1  0.901803  0.102169  0.523507  1
  Ni  Ni233  1  0.256683  0.080102  0.549144  1
  Ni  Ni234  1  0.235137  0.768836  0.523507  1
  Ni  Ni235  1  0.747500  0.935609  0.601187  1
  Ni  Ni236  1  0.724788  0.623417  0.575763  1
  Ni  Ni237  1  0.764665  0.246107  0.626879  1
  Ni  Ni238  1  0.080834  0.602276  0.601187  1
  Ni  Ni239  1  0.058122  0.290083  0.575763  1
  Ni  Ni240  1  0.414167  0.268943  0.601187  1
  Ni  Ni241  1  0.097999  0.912774  0.626879  1
  Ni  Ni242  1  0.391455  0.956750  0.575763  1
  Ni  Ni243  1  0.431332  0.579441  0.626879  1
  Ni  Ni244  1  0.672216  0.988801  0.653907  1
  Ni  Ni245  1  0.657329  0.681211  0.625537  1
  Ni  Ni246  1  0.633845  0.369873  0.600707  1
  Ni  Ni247  1  0.005550  0.655468  0.653907  1
  Ni  Ni248  1  0.990662  0.347878  0.625537  1
  Ni  Ni249  1  0.338883  0.322134  0.653907  1
  Ni  Ni250  1  0.967178  0.036540  0.600707  1
  Ni  Ni251  1  0.323995  0.014545  0.625537  1
  Ni  Ni252  1  0.300512  0.703207  0.600707  1
  Ni  Ni253  1  0.819339  0.872172  0.679402  1
  Ni  Ni254  1  0.792504  0.558332  0.651969  1
  Ni  Ni255  1  0.836739  0.189144  0.704593  1
  Ni  Ni256  1  0.152672  0.538838  0.679402  1
  Ni  Ni257  1  0.125837  0.224999  0.651969  1
  Ni  Ni258  1  0.486006  0.205505  0.679402  1
  Ni  Ni259  1  0.170072  0.855811  0.704593  1
  Ni  Ni260  1  0.459170  0.891666  0.651969  1
  Ni  Ni261  1  0.503406  0.522478  0.704593  1
  Ni  Ni262  1  0.735284  0.925807  0.726826  1
  Ni  Ni263  1  0.731322  0.610906  0.702151  1
  Ni  Ni264  1  0.700866  0.303936  0.676711  1
  Ni  Ni265  1  0.068618  0.592474  0.726826  1
  Ni  Ni266  1  0.064655  0.277572  0.702151  1
  Ni  Ni267  1  0.401951  0.259140  0.726826  1
  Ni  Ni268  1  0.034199  0.970603  0.676711  1
  Ni  Ni269  1  0.397988  0.944239  0.702151  1
  Ni  Ni270  1  0.367532  0.637270  0.676711  1
