# generated using pymatgen
data_AlNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.88821228
_cell_length_b   17.32236350
_cell_length_c   49.82228087
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   102.92096638
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlNi3
_chemical_formula_sum   'Al72 Ni216'
_cell_volume   6635.46167599
_cell_formula_units_Z   72
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  0.755630  0.992235  0.280741  1
  Al  Al2  1  0.907762  0.299584  0.304826  1
  Al  Al3  1  0.060859  0.612653  0.333561  1
  Al  Al4  1  0.913377  0.797075  0.307054  1
  Al  Al5  1  0.064304  0.113646  0.333721  1
  Al  Al6  1  0.752615  0.485325  0.282853  1
  Al  Al7  1  0.400833  0.797529  0.307063  1
  Al  Al8  1  0.561815  0.113850  0.333717  1
  Al  Al9  1  0.252472  0.485341  0.282722  1
  Al  Al10  1  0.251554  0.982701  0.281459  1
  Al  Al11  1  0.407955  0.299857  0.304317  1
  Al  Al12  1  0.564089  0.617091  0.330338  1
  Al  Al13  1  0.216906  0.930474  0.358406  1
  Al  Al14  1  0.372005  0.245373  0.382770  1
  Al  Al15  1  0.527253  0.561129  0.408158  1
  Al  Al16  1  0.372729  0.744476  0.384083  1
  Al  Al17  1  0.527727  0.058808  0.409779  1
  Al  Al18  1  0.218792  0.429393  0.358527  1
  Al  Al19  1  0.872766  0.744516  0.384183  1
  Al  Al20  1  0.026091  0.059188  0.410042  1
  Al  Al21  1  0.717380  0.429006  0.358632  1
  Al  Al22  1  0.717837  0.929466  0.355326  1
  Al  Al23  1  0.872165  0.245067  0.382929  1
  Al  Al24  1  0.026299  0.559716  0.409839  1
  Al  Al25  1  0.681320  0.875494  0.433560  1
  Al  Al26  1  0.835526  0.190516  0.460325  1
  Al  Al27  1  0.989900  0.505182  0.486618  1
  Al  Al28  1  0.836541  0.689862  0.461418  1
  Al  Al29  1  0.990803  1.004321  0.486895  1
  Al  Al30  1  0.681897  0.374531  0.435659  1
  Al  Al31  1  0.336171  0.689916  0.461375  1
  Al  Al32  1  0.490328  1.004474  0.486887  1
  Al  Al33  1  0.181427  0.374593  0.435674  1
  Al  Al34  1  0.180825  0.874688  0.435150  1
  Al  Al35  1  0.335955  0.190286  0.460005  1
  Al  Al36  1  0.490711  0.506056  0.485298  1
  Al  Al37  1  0.144433  0.820271  0.512264  1
  Al  Al38  1  0.299097  0.135829  0.537119  1
  Al  Al39  1  0.454010  0.451481  0.562426  1
  Al  Al40  1  0.299844  0.635130  0.538345  1
  Al  Al41  1  0.454403  0.949990  0.564170  1
  Al  Al42  1  0.145436  0.319872  0.512607  1
  Al  Al43  1  0.799816  0.635113  0.538437  1
  Al  Al44  1  0.954270  0.950065  0.564263  1
  Al  Al45  1  0.645060  0.320024  0.512683  1
  Al  Al46  1  0.645132  0.820969  0.510943  1
  Al  Al47  1  0.799371  0.135249  0.536695  1
  Al  Al48  1  0.953533  0.450504  0.563633  1
  Al  Al49  1  0.608662  0.767042  0.588181  1
  Al  Al50  1  0.762363  0.080996  0.613647  1
  Al  Al51  1  0.916959  0.397035  0.641681  1
  Al  Al52  1  0.763287  0.580083  0.615575  1
  Al  Al53  1  0.918362  0.896315  0.642569  1
  Al  Al54  1  0.609448  0.264503  0.589498  1
  Al  Al55  1  0.263180  0.580454  0.615473  1
  Al  Al56  1  0.417532  0.896135  0.642544  1
  Al  Al57  1  0.107746  0.265095  0.589722  1
  Al  Al58  1  0.107743  0.765829  0.589425  1
  Al  Al59  1  0.262676  0.080821  0.613776  1
  Al  Al60  1  0.417283  0.394799  0.638914  1
  Al  Al61  1  0.070820  0.710023  0.666165  1
  Al  Al62  1  0.227629  0.029231  0.689847  1
  Al  Al63  1  0.382162  0.343338  0.715831  1
  Al  Al64  1  0.234037  0.526164  0.692059  1
  Al  Al65  1  0.381240  0.836041  0.718081  1
  Al  Al66  1  0.072245  0.208159  0.667143  1
  Al  Al67  1  0.720534  0.527121  0.692344  1
  Al  Al68  1  0.879695  0.835990  0.718117  1
  Al  Al69  1  0.570780  0.208820  0.667285  1
  Al  Al70  1  0.572981  0.713074  0.664201  1
  Al  Al71  1  0.727719  0.029060  0.689615  1
  Al  Al72  1  0.877249  0.332227  0.715282  1
  Ni  Ni73  1  0.954930  0.906163  0.275127  1
  Ni  Ni74  1  0.117635  0.218737  0.301624  1
  Ni  Ni75  1  0.275144  0.536939  0.326868  1
  Ni  Ni76  1  0.139536  0.771251  0.345867  1
  Ni  Ni77  1  0.831513  0.145240  0.290779  1
  Ni  Ni78  1  0.985748  0.458380  0.319837  1
  Ni  Ni79  1  0.044500  0.064482  0.288020  1
  Ni  Ni80  1  0.195462  0.377555  0.314074  1
  Ni  Ni81  1  0.349550  0.692126  0.339220  1
  Ni  Ni82  1  0.275454  0.036349  0.325510  1
  Ni  Ni83  1  0.965650  0.410937  0.274165  1
  Ni  Ni84  1  0.116894  0.716226  0.301480  1
  Ni  Ni85  1  0.982411  0.957387  0.320203  1
  Ni  Ni86  1  0.674443  0.326273  0.269337  1
  Ni  Ni87  1  0.828068  0.642315  0.293575  1
  Ni  Ni88  1  0.196860  0.879302  0.314444  1
  Ni  Ni89  1  0.352860  0.194124  0.337654  1
  Ni  Ni90  1  0.042125  0.564977  0.287336  1
  Ni  Ni91  1  0.776537  0.039880  0.325232  1
  Ni  Ni92  1  0.465700  0.410687  0.272959  1
  Ni  Ni93  1  0.621433  0.724900  0.296440  1
  Ni  Ni94  1  0.489502  0.956884  0.319823  1
  Ni  Ni95  1  0.172902  0.326283  0.269314  1
  Ni  Ni96  1  0.332949  0.642689  0.293278  1
  Ni  Ni97  1  0.696971  0.876118  0.309165  1
  Ni  Ni98  1  0.853006  0.193903  0.337387  1
  Ni  Ni99  1  0.542011  0.564684  0.284986  1
  Ni  Ni100  1  0.471786  0.905753  0.274738  1
  Ni  Ni101  1  0.617293  0.218718  0.301599  1
  Ni  Ni102  1  0.772651  0.536481  0.327030  1
  Ni  Ni103  1  0.173312  0.826054  0.270250  1
  Ni  Ni104  1  0.330789  0.144296  0.291633  1
  Ni  Ni105  1  0.485759  0.458640  0.318461  1
  Ni  Ni106  1  0.538520  0.064756  0.287961  1
  Ni  Ni107  1  0.695935  0.377520  0.314116  1
  Ni  Ni108  1  0.851291  0.692302  0.339333  1
  Ni  Ni109  1  0.427308  0.850395  0.351830  1
  Ni  Ni110  1  0.581967  0.165701  0.378306  1
  Ni  Ni111  1  0.737495  0.480519  0.403532  1
  Ni  Ni112  1  0.604578  0.718709  0.420621  1
  Ni  Ni113  1  0.294910  0.087246  0.370216  1
  Ni  Ni114  1  0.449779  0.403130  0.395105  1
  Ni  Ni115  1  0.506839  0.007181  0.364898  1
  Ni  Ni116  1  0.659685  0.322880  0.390818  1
  Ni  Ni117  1  0.815041  0.638604  0.416479  1
  Ni  Ni118  1  0.739295  0.980828  0.401255  1
  Ni  Ni119  1  0.429974  0.350910  0.349995  1
  Ni  Ni120  1  0.585315  0.667331  0.375587  1
  Ni  Ni121  1  0.449124  0.901464  0.396994  1
  Ni  Ni122  1  0.140281  0.271176  0.346216  1
  Ni  Ni123  1  0.294815  0.587072  0.371724  1
  Ni  Ni124  1  0.662345  0.824572  0.388150  1
  Ni  Ni125  1  0.816417  0.139557  0.415205  1
  Ni  Ni126  1  0.508347  0.510342  0.363198  1
  Ni  Ni127  1  0.238613  0.981330  0.402960  1
  Ni  Ni128  1  0.929887  0.350685  0.350776  1
  Ni  Ni129  1  0.084080  0.665922  0.378046  1
  Ni  Ni130  1  0.950219  0.901213  0.396996  1
  Ni  Ni131  1  0.640862  0.271114  0.346199  1
  Ni  Ni132  1  0.796224  0.587105  0.371788  1
  Ni  Ni133  1  0.161395  0.823193  0.390426  1
  Ni  Ni134  1  0.316439  0.138649  0.415179  1
  Ni  Ni135  1  0.006293  0.507553  0.365046  1
  Ni  Ni136  1  0.928805  0.850054  0.351787  1
  Ni  Ni137  1  0.083332  0.165502  0.378279  1
  Ni  Ni138  1  0.237209  0.480463  0.403510  1
  Ni  Ni139  1  0.640277  0.772970  0.342709  1
  Ni  Ni140  1  0.795127  0.089102  0.370104  1
  Ni  Ni141  1  0.948493  0.401569  0.396382  1
  Ni  Ni142  1  0.003452  0.007636  0.365206  1
  Ni  Ni143  1  0.160170  0.323151  0.390801  1
  Ni  Ni144  1  0.314768  0.638672  0.416453  1
  Ni  Ni145  1  0.892004  0.795743  0.429203  1
  Ni  Ni146  1  0.045889  0.110713  0.454920  1
  Ni  Ni147  1  0.201007  0.426189  0.480552  1
  Ni  Ni148  1  0.067169  0.662720  0.499628  1
  Ni  Ni149  1  0.758569  0.032409  0.446529  1
  Ni  Ni150  1  0.912860  0.347729  0.473385  1
  Ni  Ni151  1  0.969264  0.952819  0.441937  1
  Ni  Ni152  1  0.123982  0.268415  0.467756  1
  Ni  Ni153  1  0.278433  0.583722  0.493372  1
  Ni  Ni154  1  0.202437  0.926191  0.479843  1
  Ni  Ni155  1  0.893383  0.296055  0.428301  1
  Ni  Ni156  1  0.047771  0.611207  0.454713  1
  Ni  Ni157  1  0.913451  0.847072  0.474251  1
  Ni  Ni158  1  0.603789  0.217052  0.423077  1
  Ni  Ni159  1  0.758991  0.532189  0.448493  1
  Ni  Ni160  1  0.125025  0.768827  0.467493  1
  Ni  Ni161  1  0.279648  0.084219  0.492397  1
  Ni  Ni162  1  0.970506  0.453648  0.441536  1
  Ni  Ni163  1  0.702820  0.926817  0.478781  1
  Ni  Ni164  1  0.393895  0.297088  0.427736  1
  Ni  Ni165  1  0.548783  0.612504  0.453155  1
  Ni  Ni166  1  0.413521  0.847032  0.474142  1
  Ni  Ni167  1  0.105063  0.216982  0.423015  1
  Ni  Ni168  1  0.259160  0.532221  0.448438  1
  Ni  Ni169  1  0.625925  0.769662  0.465876  1
  Ni  Ni170  1  0.780036  0.083826  0.491748  1
  Ni  Ni171  1  0.471274  0.454475  0.440315  1
  Ni  Ni172  1  0.391822  0.795672  0.429128  1
  Ni  Ni173  1  0.546785  0.110368  0.454726  1
  Ni  Ni174  1  0.701241  0.426099  0.480550  1
  Ni  Ni175  1  0.103405  0.717414  0.422755  1
  Ni  Ni176  1  0.257980  0.032704  0.447636  1
  Ni  Ni177  1  0.413183  0.348520  0.472620  1
  Ni  Ni178  1  0.468751  0.953012  0.441938  1
  Ni  Ni179  1  0.623569  0.268571  0.467798  1
  Ni  Ni180  1  0.778409  0.583699  0.493428  1
  Ni  Ni181  1  0.355511  0.741311  0.506358  1
  Ni  Ni182  1  0.509550  0.055927  0.531881  1
  Ni  Ni183  1  0.664337  0.371465  0.557651  1
  Ni  Ni184  1  0.531141  0.608757  0.575074  1
  Ni  Ni185  1  0.221818  0.977718  0.524491  1
  Ni  Ni186  1  0.376842  0.293224  0.549437  1
  Ni  Ni187  1  0.432763  0.898483  0.519107  1
  Ni  Ni188  1  0.587746  0.213289  0.544596  1
  Ni  Ni189  1  0.741908  0.528874  0.570508  1
  Ni  Ni190  1  0.666819  0.872513  0.555912  1
  Ni  Ni191  1  0.357477  0.241780  0.504764  1
  Ni  Ni192  1  0.512183  0.557469  0.530257  1
  Ni  Ni193  1  0.377129  0.792855  0.551471  1
  Ni  Ni194  1  0.067366  0.162200  0.499893  1
  Ni  Ni195  1  0.222503  0.477645  0.525514  1
  Ni  Ni196  1  0.589469  0.715245  0.543235  1
  Ni  Ni197  1  0.743797  0.029944  0.568702  1
  Ni  Ni198  1  0.434685  0.399939  0.517576  1
  Ni  Ni199  1  0.166103  0.871892  0.556976  1
  Ni  Ni200  1  0.856962  0.242021  0.505363  1
  Ni  Ni201  1  0.011270  0.556604  0.531653  1
  Ni  Ni202  1  0.877351  0.792729  0.551564  1
  Ni  Ni203  1  0.568383  0.161863  0.499698  1
  Ni  Ni204  1  0.722694  0.477491  0.525551  1
  Ni  Ni205  1  0.088670  0.714197  0.544555  1
  Ni  Ni206  1  0.243658  0.029296  0.569167  1
  Ni  Ni207  1  0.934298  0.399168  0.518498  1
  Ni  Ni208  1  0.855829  0.741261  0.506411  1
  Ni  Ni209  1  0.010234  0.055759  0.531862  1
  Ni  Ni210  1  0.164832  0.371279  0.557517  1
  Ni  Ni211  1  0.568011  0.663872  0.498130  1
  Ni  Ni212  1  0.722038  0.978323  0.523737  1
  Ni  Ni213  1  0.876227  0.293631  0.550454  1
  Ni  Ni214  1  0.932709  0.898506  0.519204  1
  Ni  Ni215  1  0.086573  0.213653  0.544789  1
  Ni  Ni216  1  0.241586  0.528983  0.570467  1
  Ni  Ni217  1  0.818844  0.686448  0.583437  1
  Ni  Ni218  1  0.973055  1.001151  0.609533  1
  Ni  Ni219  1  0.125282  0.315935  0.634769  1
  Ni  Ni220  1  0.993897  0.552521  0.654005  1
  Ni  Ni221  1  0.685842  0.924511  0.600621  1
  Ni  Ni222  1  0.839667  0.237190  0.626024  1
  Ni  Ni223  1  0.896451  0.844642  0.596739  1
  Ni  Ni224  1  0.051062  0.158142  0.621916  1
  Ni  Ni225  1  0.206649  0.473880  0.647352  1
  Ni  Ni226  1  0.129623  0.817762  0.634160  1
  Ni  Ni227  1  0.820879  0.186263  0.581523  1
  Ni  Ni228  1  0.974909  0.501414  0.608874  1
  Ni  Ni229  1  0.840394  0.738077  0.628406  1
  Ni  Ni230  1  0.530700  0.107070  0.577029  1
  Ni  Ni231  1  0.685487  0.422788  0.602723  1
  Ni  Ni232  1  0.051667  0.659048  0.621540  1
  Ni  Ni233  1  0.207225  0.975348  0.646092  1
  Ni  Ni234  1  0.897696  0.345359  0.595766  1
  Ni  Ni235  1  0.630887  0.819513  0.632998  1
  Ni  Ni236  1  0.320661  0.187435  0.581826  1
  Ni  Ni237  1  0.475284  0.502677  0.607371  1
  Ni  Ni238  1  0.340644  0.738062  0.628310  1
  Ni  Ni239  1  0.031972  0.106831  0.576965  1
  Ni  Ni240  1  0.186646  0.422369  0.602500  1
  Ni  Ni241  1  0.552972  0.660334  0.619849  1
  Ni  Ni242  1  0.707291  0.975354  0.645633  1
  Ni  Ni243  1  0.398709  0.344630  0.594186  1
  Ni  Ni244  1  0.318931  0.686570  0.583326  1
  Ni  Ni245  1  0.472808  1.000984  0.609471  1
  Ni  Ni246  1  0.629774  0.315412  0.634479  1
  Ni  Ni247  1  0.030326  0.607775  0.576672  1
  Ni  Ni248  1  0.185094  0.923666  0.601542  1
  Ni  Ni249  1  0.339987  0.239677  0.626450  1
  Ni  Ni250  1  0.396045  0.844671  0.596683  1
  Ni  Ni251  1  0.549246  0.158416  0.622024  1
  Ni  Ni252  1  0.703978  0.474060  0.647670  1
  Ni  Ni253  1  0.282807  0.632485  0.660440  1
  Ni  Ni254  1  0.437512  0.948499  0.688653  1
  Ni  Ni255  1  0.586312  0.259681  0.712682  1
  Ni  Ni256  1  0.459293  0.497338  0.727666  1
  Ni  Ni257  1  0.149337  0.869448  0.678667  1
  Ni  Ni258  1  0.302700  0.181446  0.703917  1
  Ni  Ni259  1  0.358047  0.787663  0.673359  1
  Ni  Ni260  1  0.513376  0.101779  0.701149  1
  Ni  Ni261  1  0.681104  0.417944  0.723982  1
  Ni  Ni262  1  0.593221  0.760492  0.709911  1
  Ni  Ni263  1  0.285472  0.133565  0.658107  1
  Ni  Ni264  1  0.439093  0.445812  0.683018  1
  Ni  Ni265  1  0.301519  0.680567  0.706863  1
  Ni  Ni266  1  0.994510  0.052594  0.654925  1
  Ni  Ni267  1  0.145026  0.367201  0.679486  1
  Ni  Ni268  1  0.517858  0.608853  0.696539  1
  Ni  Ni269  1  0.673430  0.922484  0.722705  1
  Ni  Ni270  1  0.360574  0.289452  0.671603  1
  Ni  Ni271  1  0.093669  0.761418  0.711018  1
  Ni  Ni272  1  0.784669  0.133441  0.658277  1
  Ni  Ni273  1  0.938218  0.449842  0.688055  1
  Ni  Ni274  1  0.805537  0.680622  0.706797  1
  Ni  Ni275  1  0.494606  0.052447  0.654844  1
  Ni  Ni276  1  0.652421  0.365874  0.679206  1
  Ni  Ni277  1  0.014980  0.601819  0.699499  1
  Ni  Ni278  1  0.173407  0.922469  0.723089  1
  Ni  Ni279  1  0.860812  0.286230  0.670857  1
  Ni  Ni280  1  0.782992  0.632406  0.660437  1
  Ni  Ni281  1  0.937582  0.948439  0.688678  1
  Ni  Ni282  1  0.095790  0.259694  0.712411  1
  Ni  Ni283  1  0.495008  0.554865  0.652022  1
  Ni  Ni284  1  0.649160  0.869330  0.678061  1
  Ni  Ni285  1  0.802697  0.181785  0.704316  1
  Ni  Ni286  1  0.860070  0.787910  0.673372  1
  Ni  Ni287  1  0.012883  0.101717  0.701283  1
  Ni  Ni288  1  0.157531  0.418358  0.724432  1
