# generated using pymatgen
data_Al3Ni2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.61901712
_cell_length_b   15.31322183
_cell_length_c   49.43776919
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   92.83310547
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni2
_chemical_formula_sum   'Al162 Ni108'
_cell_volume   8029.3172411
_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  0.282782  0.408549  0.327359  1
  Al  Al2  1  0.262985  0.064160  0.293810  1
  Al  Al3  1  0.250152  0.773781  0.275452  1
  Al  Al4  1  0.616115  0.075216  0.327359  1
  Al  Al5  1  0.596318  0.730826  0.293810  1
  Al  Al6  1  0.949449  0.741883  0.327359  1
  Al  Al7  1  0.583485  0.440448  0.275452  1
  Al  Al8  1  0.929652  0.397493  0.293810  1
  Al  Al9  1  0.916819  0.107114  0.275452  1
  Al  Al10  1  0.489141  0.191866  0.296709  1
  Al  Al11  1  0.603475  0.905780  0.308769  1
  Al  Al12  1  0.511650  0.504887  0.325152  1
  Al  Al13  1  0.822474  0.858532  0.296709  1
  Al  Al14  1  0.936808  0.572447  0.308769  1
  Al  Al15  1  0.155808  0.525199  0.296709  1
  Al  Al16  1  0.844983  0.171554  0.325152  1
  Al  Al17  1  0.270141  0.239113  0.308769  1
  Al  Al18  1  0.178316  0.838221  0.325152  1
  Al  Al19  1  0.424168  0.252811  0.350133  1
  Al  Al20  1  0.386366  0.942604  0.325675  1
  Al  Al21  1  0.367269  0.628327  0.299635  1
  Al  Al22  1  0.757501  0.919478  0.350133  1
  Al  Al23  1  0.719699  0.609270  0.325675  1
  Al  Al24  1  0.090834  0.586144  0.350133  1
  Al  Al25  1  0.700602  0.294994  0.299635  1
  Al  Al26  1  0.053032  0.275937  0.325675  1
  Al  Al27  1  0.033936  0.961661  0.299635  1
  Al  Al28  1  0.349304  0.324109  0.401778  1
  Al  Al29  1  0.329621  0.015163  0.375116  1
  Al  Al30  1  0.304303  0.701979  0.349082  1
  Al  Al31  1  0.682637  0.990776  0.401778  1
  Al  Al32  1  0.662954  0.681830  0.375116  1
  Al  Al33  1  0.015970  0.657442  0.401778  1
  Al  Al34  1  0.637637  0.368645  0.349082  1
  Al  Al35  1  0.996287  0.348497  0.375116  1
  Al  Al36  1  0.970970  0.035312  0.349082  1
  Al  Al37  1  0.546743  0.129021  0.376042  1
  Al  Al38  1  0.527590  0.817082  0.352702  1
  Al  Al39  1  0.572795  0.441264  0.402460  1
  Al  Al40  1  0.880076  0.795688  0.376042  1
  Al  Al41  1  0.860924  0.483748  0.352702  1
  Al  Al42  1  0.213410  0.462355  0.376042  1
  Al  Al43  1  0.906128  0.107931  0.402460  1
  Al  Al44  1  0.194257  0.150415  0.352702  1
  Al  Al45  1  0.239461  0.774597  0.402460  1
  Al  Al46  1  0.483218  0.187868  0.427357  1
  Al  Al47  1  0.461036  0.876902  0.401252  1
  Al  Al48  1  0.438808  0.564929  0.374643  1
  Al  Al49  1  0.816552  0.854535  0.427357  1
  Al  Al50  1  0.794369  0.543569  0.401252  1
  Al  Al51  1  0.149885  0.521201  0.427357  1
  Al  Al52  1  0.772141  0.231596  0.374643  1
  Al  Al53  1  0.127702  0.210235  0.401252  1
  Al  Al54  1  0.105475  0.898262  0.374643  1
  Al  Al55  1  0.415855  0.259709  0.479616  1
  Al  Al56  1  0.393536  0.948232  0.453521  1
  Al  Al57  1  0.372069  0.636116  0.427923  1
  Al  Al58  1  0.749189  0.926376  0.479616  1
  Al  Al59  1  0.726869  0.614899  0.453521  1
  Al  Al60  1  0.082522  0.593042  0.479616  1
  Al  Al61  1  0.705402  0.302783  0.427923  1
  Al  Al62  1  0.060203  0.281566  0.453521  1
  Al  Al63  1  0.038736  0.969450  0.427923  1
  Al  Al64  1  0.615715  0.063821  0.454009  1
  Al  Al65  1  0.593299  0.752535  0.428121  1
  Al  Al66  1  0.637809  0.375347  0.480002  1
  Al  Al67  1  0.949048  0.730488  0.454009  1
  Al  Al68  1  0.926632  0.419202  0.428121  1
  Al  Al69  1  0.282382  0.397155  0.454009  1
  Al  Al70  1  0.971143  0.042014  0.480002  1
  Al  Al71  1  0.259966  0.085868  0.428121  1
  Al  Al72  1  0.304476  0.708680  0.480002  1
  Al  Al73  1  0.549166  0.122212  0.505114  1
  Al  Al74  1  0.527241  0.810819  0.479237  1
  Al  Al75  1  0.505469  0.499637  0.453144  1
  Al  Al76  1  0.882500  0.788879  0.505114  1
  Al  Al77  1  0.860574  0.477486  0.479237  1
  Al  Al78  1  0.215833  0.455545  0.505114  1
  Al  Al79  1  0.838803  0.166304  0.453144  1
  Al  Al80  1  0.193908  0.144152  0.479237  1
  Al  Al81  1  0.172136  0.832970  0.453144  1
  Al  Al82  1  0.482478  0.194448  0.557497  1
  Al  Al83  1  0.460050  0.882790  0.531405  1
  Al  Al84  1  0.437964  0.571239  0.505498  1
  Al  Al85  1  0.815811  0.861114  0.557497  1
  Al  Al86  1  0.793384  0.549456  0.531405  1
  Al  Al87  1  0.149144  0.527781  0.557497  1
  Al  Al88  1  0.771297  0.237906  0.505498  1
  Al  Al89  1  0.126717  0.216123  0.531405  1
  Al  Al90  1  0.104631  0.904573  0.505498  1
  Al  Al91  1  0.682026  0.998347  0.531774  1
  Al  Al92  1  0.660046  0.686948  0.505897  1
  Al  Al93  1  0.703789  0.309492  0.557882  1
  Al  Al94  1  0.015360  0.665014  0.531774  1
  Al  Al95  1  0.993379  0.353615  0.505897  1
  Al  Al96  1  0.348693  0.331680  0.531774  1
  Al  Al97  1  0.037122  0.976159  0.557882  1
  Al  Al98  1  0.326712  0.020282  0.505897  1
  Al  Al99  1  0.370456  0.642826  0.557882  1
  Al  Al100  1  0.615995  0.056610  0.582889  1
  Al  Al101  1  0.593406  0.745368  0.556968  1
  Al  Al102  1  0.571499  0.433810  0.531003  1
  Al  Al103  1  0.949328  0.723276  0.582889  1
  Al  Al104  1  0.926739  0.412035  0.556968  1
  Al  Al105  1  0.282662  0.389943  0.582889  1
  Al  Al106  1  0.904833  0.100477  0.531003  1
  Al  Al107  1  0.260073  0.078702  0.556968  1
  Al  Al108  1  0.238166  0.767143  0.531003  1
  Al  Al109  1  0.546021  0.127240  0.635844  1
  Al  Al110  1  0.526845  0.818610  0.609253  1
  Al  Al111  1  0.503604  0.506185  0.583088  1
  Al  Al112  1  0.879354  0.793906  0.635844  1
  Al  Al113  1  0.860178  0.485277  0.609253  1
  Al  Al114  1  0.212688  0.460573  0.635844  1
  Al  Al115  1  0.836937  0.172852  0.583088  1
  Al  Al116  1  0.193512  0.151943  0.609253  1
  Al  Al117  1  0.170271  0.839518  0.583088  1
  Al  Al118  1  0.747868  0.932053  0.609965  1
  Al  Al119  1  0.726009  0.621302  0.583592  1
  Al  Al120  1  0.770697  0.244131  0.636660  1
  Al  Al121  1  0.081201  0.598720  0.609965  1
  Al  Al122  1  0.059342  0.287969  0.583592  1
  Al  Al123  1  0.414535  0.265386  0.609965  1
  Al  Al124  1  0.104031  0.910797  0.636660  1
  Al  Al125  1  0.392675  0.954635  0.583592  1
  Al  Al126  1  0.437364  0.577464  0.636660  1
  Al  Al127  1  0.683862  0.992078  0.658830  1
  Al  Al128  1  0.662265  0.680210  0.634788  1
  Al  Al129  1  0.636184  0.367717  0.608531  1
  Al  Al130  1  0.017195  0.658744  0.658830  1
  Al  Al131  1  0.995599  0.346877  0.634788  1
  Al  Al132  1  0.350528  0.325411  0.658830  1
  Al  Al133  1  0.969517  0.034384  0.608531  1
  Al  Al134  1  0.328932  0.013543  0.634788  1
  Al  Al135  1  0.302851  0.701051  0.608531  1
  Al  Al136  1  0.612834  0.075121  0.716166  1
  Al  Al137  1  0.592890  0.731369  0.683296  1
  Al  Al138  1  0.571491  0.439514  0.661528  1
  Al  Al139  1  0.946168  0.741787  0.716166  1
  Al  Al140  1  0.926224  0.398035  0.683296  1
  Al  Al141  1  0.279501  0.408454  0.716166  1
  Al  Al142  1  0.904824  0.106180  0.661528  1
  Al  Al143  1  0.259557  0.064702  0.683296  1
  Al  Al144  1  0.238157  0.772847  0.661528  1
  Al  Al145  1  0.823754  0.866450  0.685134  1
  Al  Al146  1  0.784329  0.556469  0.660571  1
  Al  Al147  1  0.843927  0.182205  0.710180  1
  Al  Al148  1  0.157088  0.533116  0.685134  1
  Al  Al149  1  0.117663  0.223135  0.660571  1
  Al  Al150  1  0.490421  0.199783  0.685134  1
  Al  Al151  1  0.177260  0.848872  0.710180  1
  Al  Al152  1  0.450996  0.889802  0.660571  1
  Al  Al153  1  0.510593  0.515539  0.710180  1
  Al  Al154  1  0.605383  0.900910  0.701359  1
  Al  Al155  1  0.720846  0.617337  0.713745  1
  Al  Al156  1  0.697401  0.303991  0.686074  1
  Al  Al157  1  0.938716  0.567577  0.701359  1
  Al  Al158  1  0.054180  0.284004  0.713745  1
  Al  Al159  1  0.272049  0.234243  0.701359  1
  Al  Al160  1  0.030735  0.970657  0.686074  1
  Al  Al161  1  0.387513  0.950670  0.713745  1
  Al  Al162  1  0.364068  0.637324  0.686074  1
  Ni  Ni163  1  0.482320  0.347231  0.311379  1
  Ni  Ni164  1  0.489665  0.031125  0.288641  1
  Ni  Ni165  1  0.515800  0.664434  0.337023  1
  Ni  Ni166  1  0.815653  0.013897  0.311379  1
  Ni  Ni167  1  0.822998  0.697792  0.288641  1
  Ni  Ni168  1  0.148986  0.680564  0.311379  1
  Ni  Ni169  1  0.849134  0.331100  0.337023  1
  Ni  Ni170  1  0.156331  0.364458  0.288641  1
  Ni  Ni171  1  0.182467  0.997767  0.337023  1
  Ni  Ni172  1  0.395104  0.101563  0.334542  1
  Ni  Ni173  1  0.399796  0.789707  0.312095  1
  Ni  Ni174  1  0.364125  0.467791  0.286021  1
  Ni  Ni175  1  0.728437  0.768229  0.334542  1
  Ni  Ni176  1  0.733129  0.456374  0.312095  1
  Ni  Ni177  1  0.061771  0.434896  0.334542  1
  Ni  Ni178  1  0.697458  0.134458  0.286021  1
  Ni  Ni179  1  0.066462  0.123040  0.312095  1
  Ni  Ni180  1  0.030791  0.801125  0.286021  1
  Ni  Ni181  1  0.563341  0.285356  0.389380  1
  Ni  Ni182  1  0.543441  0.972972  0.362341  1
  Ni  Ni183  1  0.583877  0.597339  0.414633  1
  Ni  Ni184  1  0.896675  0.952023  0.389380  1
  Ni  Ni185  1  0.876774  0.639639  0.362341  1
  Ni  Ni186  1  0.230008  0.618690  0.389380  1
  Ni  Ni187  1  0.917210  0.264005  0.414633  1
  Ni  Ni188  1  0.210108  0.306305  0.362341  1
  Ni  Ni189  1  0.250543  0.930672  0.414633  1
  Ni  Ni190  1  0.470751  0.032518  0.414294  1
  Ni  Ni191  1  0.448158  0.719193  0.388714  1
  Ni  Ni192  1  0.429887  0.408761  0.363477  1
  Ni  Ni193  1  0.804084  0.699184  0.414294  1
  Ni  Ni194  1  0.781492  0.385859  0.388714  1
  Ni  Ni195  1  0.137417  0.365851  0.414294  1
  Ni  Ni196  1  0.763220  0.075428  0.363477  1
  Ni  Ni197  1  0.114825  0.052526  0.388714  1
  Ni  Ni198  1  0.096553  0.742094  0.363477  1
  Ni  Ni199  1  0.627630  0.219315  0.467062  1
  Ni  Ni200  1  0.605414  0.907870  0.441091  1
  Ni  Ni201  1  0.649733  0.531087  0.492842  1
  Ni  Ni202  1  0.960963  0.885982  0.467062  1
  Ni  Ni203  1  0.938747  0.574537  0.441091  1
  Ni  Ni204  1  0.294296  0.552649  0.467062  1
  Ni  Ni205  1  0.983067  0.197753  0.492842  1
  Ni  Ni206  1  0.272080  0.241203  0.441091  1
  Ni  Ni207  1  0.316400  0.864420  0.492842  1
  Ni  Ni208  1  0.537275  0.966669  0.492118  1
  Ni  Ni209  1  0.515503  0.655303  0.466327  1
  Ni  Ni210  1  0.493291  0.343700  0.440388  1
  Ni  Ni211  1  0.870608  0.633336  0.492118  1
  Ni  Ni212  1  0.848837  0.321970  0.466327  1
  Ni  Ni213  1  0.203941  0.300002  0.492118  1
  Ni  Ni214  1  0.826625  0.010367  0.440388  1
  Ni  Ni215  1  0.182170  0.988637  0.466327  1
  Ni  Ni216  1  0.159958  0.677033  0.440388  1
  Ni  Ni217  1  0.693722  0.153847  0.544664  1
  Ni  Ni218  1  0.671985  0.842504  0.518898  1
  Ni  Ni219  1  0.715921  0.465445  0.570651  1
  Ni  Ni220  1  0.027056  0.820514  0.544664  1
  Ni  Ni221  1  0.005318  0.509170  0.518898  1
  Ni  Ni222  1  0.360389  0.487180  0.544664  1
  Ni  Ni223  1  0.049255  0.132112  0.570651  1
  Ni  Ni224  1  0.338651  0.175837  0.518898  1
  Ni  Ni225  1  0.382588  0.798778  0.570651  1
  Ni  Ni226  1  0.603957  0.901314  0.569931  1
  Ni  Ni227  1  0.581526  0.589801  0.543944  1
  Ni  Ni228  1  0.559578  0.278096  0.518162  1
  Ni  Ni229  1  0.937290  0.567981  0.569931  1
  Ni  Ni230  1  0.914859  0.256468  0.543944  1
  Ni  Ni231  1  0.270623  0.234647  0.569931  1
  Ni  Ni232  1  0.892911  0.944763  0.518162  1
  Ni  Ni233  1  0.248193  0.923134  0.543944  1
  Ni  Ni234  1  0.226245  0.611430  0.518162  1
  Ni  Ni235  1  0.760560  0.089738  0.622345  1
  Ni  Ni236  1  0.738487  0.776688  0.596626  1
  Ni  Ni237  1  0.779314  0.400322  0.647367  1
  Ni  Ni238  1  0.093894  0.756405  0.622345  1
  Ni  Ni239  1  0.071821  0.443355  0.596626  1
  Ni  Ni240  1  0.427227  0.423071  0.622345  1
  Ni  Ni241  1  0.112648  0.066989  0.647367  1
  Ni  Ni242  1  0.405154  0.110021  0.596626  1
  Ni  Ni243  1  0.445981  0.733656  0.647367  1
  Ni  Ni244  1  0.665363  0.836159  0.648958  1
  Ni  Ni245  1  0.645654  0.523691  0.621515  1
  Ni  Ni246  1  0.625373  0.211838  0.596436  1
  Ni  Ni247  1  0.998696  0.502826  0.648958  1
  Ni  Ni248  1  0.978988  0.190358  0.621515  1
  Ni  Ni249  1  0.332029  0.169493  0.648958  1
  Ni  Ni250  1  0.958706  0.878504  0.596436  1
  Ni  Ni251  1  0.312321  0.857024  0.621515  1
  Ni  Ni252  1  0.292040  0.545171  0.596436  1
  Ni  Ni253  1  0.815754  0.020493  0.699898  1
  Ni  Ni254  1  0.814160  0.707369  0.676042  1
  Ni  Ni255  1  0.842519  0.342837  0.724866  1
  Ni  Ni256  1  0.149087  0.687160  0.699898  1
  Ni  Ni257  1  0.147493  0.374036  0.676042  1
  Ni  Ni258  1  0.482421  0.353827  0.699898  1
  Ni  Ni259  1  0.175852  0.009503  0.724866  1
  Ni  Ni260  1  0.480827  0.040703  0.676042  1
  Ni  Ni261  1  0.509185  0.676170  0.724866  1
  Ni  Ni262  1  0.720470  0.776650  0.721708  1
  Ni  Ni263  1  0.726118  0.461198  0.699272  1
  Ni  Ni264  1  0.693703  0.144286  0.673708  1
  Ni  Ni265  1  0.053803  0.443317  0.721708  1
  Ni  Ni266  1  0.059451  0.127865  0.699272  1
  Ni  Ni267  1  0.387136  0.109984  0.721708  1
  Ni  Ni268  1  0.027036  0.810953  0.673708  1
  Ni  Ni269  1  0.392784  0.794531  0.699272  1
  Ni  Ni270  1  0.360369  0.477619  0.673708  1
