# generated using pymatgen
data_Al3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.53222902
_cell_length_b   16.60903873
_cell_length_c   55.37551573
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   101.52146934
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni
_chemical_formula_sum   'Al240 Ni80'
_cell_volume   10392.860701
_cell_formula_units_Z   80
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  0.793212  0.235260  0.342881  1
  Al  Al2  1  0.176787  0.291940  0.299780  1
  Al  Al3  1  0.293212  0.735260  0.342881  1
  Al  Al4  1  0.676787  0.791940  0.299780  1
  Al  Al5  1  0.426135  0.389454  0.298280  1
  Al  Al6  1  0.063776  0.341276  0.344879  1
  Al  Al7  1  0.926135  0.889454  0.298280  1
  Al  Al8  1  0.563776  0.841276  0.344879  1
  Al  Al9  1  0.369863  0.213795  0.280279  1
  Al  Al10  1  0.008148  0.153669  0.326013  1
  Al  Al11  1  0.869863  0.713795  0.280279  1
  Al  Al12  1  0.508148  0.653669  0.326013  1
  Al  Al13  1  0.669625  0.444246  0.292260  1
  Al  Al14  1  0.295160  0.390075  0.338660  1
  Al  Al15  1  0.169625  0.944246  0.292260  1
  Al  Al16  1  0.795160  0.890075  0.338660  1
  Al  Al17  1  0.644148  0.350336  0.332856  1
  Al  Al18  1  0.012615  0.401524  0.286469  1
  Al  Al19  1  0.144148  0.850336  0.332856  1
  Al  Al20  1  0.512615  0.901524  0.286469  1
  Al  Al21  1  0.931907  0.587421  0.345499  1
  Al  Al22  1  0.303957  0.635664  0.300412  1
  Al  Al23  1  0.431907  0.087421  0.345499  1
  Al  Al24  1  0.803957  0.135664  0.300412  1
  Al  Al25  1  0.588367  0.169944  0.312921  1
  Al  Al26  1  0.979398  0.223373  0.271145  1
  Al  Al27  1  0.088367  0.669944  0.312921  1
  Al  Al28  1  0.479398  0.723373  0.271145  1
  Al  Al29  1  0.880980  0.402541  0.327409  1
  Al  Al30  1  0.254239  0.463543  0.281655  1
  Al  Al31  1  0.380980  0.902541  0.327409  1
  Al  Al32  1  0.754239  0.963543  0.281655  1
  Al  Al33  1  0.717205  0.625443  0.312763  1
  Al  Al34  1  0.345305  0.574470  0.356841  1
  Al  Al35  1  0.217205  0.125443  0.312763  1
  Al  Al36  1  0.845305  0.074470  0.356841  1
  Al  Al37  1  0.772939  0.295897  0.289418  1
  Al  Al38  1  0.402391  0.252537  0.330077  1
  Al  Al39  1  0.272939  0.795897  0.289418  1
  Al  Al40  1  0.902391  0.752537  0.330077  1
  Al  Al41  1  0.508331  0.557078  0.283827  1
  Al  Al42  1  0.140019  0.506052  0.326552  1
  Al  Al43  1  0.008331  0.057078  0.283827  1
  Al  Al44  1  0.640019  0.006052  0.326552  1
  Al  Al45  1  0.535973  0.488669  0.340623  1
  Al  Al46  1  0.898331  0.543291  0.296522  1
  Al  Al47  1  0.035973  0.988669  0.340623  1
  Al  Al48  1  0.398331  0.043291  0.296522  1
  Al  Al49  1  0.053332  0.131500  0.434941  1
  Al  Al50  1  0.425822  0.184084  0.389127  1
  Al  Al51  1  0.553332  0.631500  0.434941  1
  Al  Al52  1  0.925822  0.684084  0.389127  1
  Al  Al53  1  0.688272  0.286859  0.388969  1
  Al  Al54  1  0.320408  0.235044  0.435061  1
  Al  Al55  1  0.188272  0.786859  0.388969  1
  Al  Al56  1  0.820408  0.735044  0.435061  1
  Al  Al57  1  0.635480  0.103085  0.370498  1
  Al  Al58  1  0.266422  0.049596  0.416121  1
  Al  Al59  1  0.135480  0.603085  0.370498  1
  Al  Al60  1  0.766422  0.549596  0.416121  1
  Al  Al61  1  0.923729  0.339259  0.383763  1
  Al  Al62  1  0.554850  0.286102  0.429250  1
  Al  Al63  1  0.423729  0.839259  0.383763  1
  Al  Al64  1  0.054850  0.786102  0.429250  1
  Al  Al65  1  0.901972  0.245799  0.424060  1
  Al  Al66  1  0.274111  0.299438  0.379509  1
  Al  Al67  1  0.401972  0.745799  0.424060  1
  Al  Al68  1  0.774111  0.799438  0.379509  1
  Al  Al69  1  0.190843  0.482185  0.437324  1
  Al  Al70  1  0.560489  0.534511  0.391825  1
  Al  Al71  1  0.690843  0.982185  0.437324  1
  Al  Al72  1  0.060489  0.034511  0.391825  1
  Al  Al73  1  0.849826  0.064195  0.405641  1
  Al  Al74  1  0.221765  0.113684  0.360959  1
  Al  Al75  1  0.349826  0.564195  0.405641  1
  Al  Al76  1  0.721765  0.613684  0.360959  1
  Al  Al77  1  0.137112  0.297282  0.418940  1
  Al  Al78  1  0.507147  0.350273  0.372416  1
  Al  Al79  1  0.637112  0.797282  0.418940  1
  Al  Al80  1  0.007147  0.850273  0.372416  1
  Al  Al81  1  0.977719  0.521114  0.402356  1
  Al  Al82  1  0.606693  0.468742  0.447670  1
  Al  Al83  1  0.477719  0.021114  0.402356  1
  Al  Al84  1  0.106693  0.968742  0.447670  1
  Al  Al85  1  0.033021  0.199762  0.376160  1
  Al  Al86  1  0.663234  0.147760  0.420832  1
  Al  Al87  1  0.533021  0.699762  0.376160  1
  Al  Al88  1  0.163234  0.647760  0.420832  1
  Al  Al89  1  0.774369  0.452042  0.373183  1
  Al  Al90  1  0.403070  0.401100  0.418595  1
  Al  Al91  1  0.274369  0.952042  0.373183  1
  Al  Al92  1  0.903070  0.901100  0.418595  1
  Al  Al93  1  0.793441  0.384632  0.432437  1
  Al  Al94  1  0.164585  0.437858  0.387230  1
  Al  Al95  1  0.293441  0.884632  0.432437  1
  Al  Al96  1  0.664585  0.937858  0.387230  1
  Al  Al97  1  0.313111  0.026162  0.525919  1
  Al  Al98  1  0.683705  0.078925  0.480538  1
  Al  Al99  1  0.813111  0.526162  0.525919  1
  Al  Al100  1  0.183705  0.578925  0.480538  1
  Al  Al101  1  0.949153  0.181848  0.480684  1
  Al  Al102  1  0.578839  0.129034  0.526225  1
  Al  Al103  1  0.449153  0.681848  0.480684  1
  Al  Al104  1  0.078839  0.629034  0.526225  1
  Al  Al105  1  0.895982  0.997471  0.461949  1
  Al  Al106  1  0.525505  0.944802  0.507499  1
  Al  Al107  1  0.395982  0.497471  0.461949  1
  Al  Al108  1  0.025505  0.444802  0.507499  1
  Al  Al109  1  0.184141  0.233455  0.474877  1
  Al  Al110  1  0.813749  0.180868  0.520601  1
  Al  Al111  1  0.684141  0.733455  0.474877  1
  Al  Al112  1  0.313749  0.680868  0.520601  1
  Al  Al113  1  0.161949  0.140634  0.515414  1
  Al  Al114  1  0.532341  0.193222  0.469690  1
  Al  Al115  1  0.661949  0.640634  0.515414  1
  Al  Al116  1  0.032341  0.693222  0.469690  1
  Al  Al117  1  0.450108  0.376619  0.528342  1
  Al  Al118  1  0.820585  0.429288  0.482792  1
  Al  Al119  1  0.950108  0.876619  0.528342  1
  Al  Al120  1  0.320585  0.929288  0.482792  1
  Al  Al121  1  0.109433  0.958054  0.496732  1
  Al  Al122  1  0.479909  0.010900  0.451289  1
  Al  Al123  1  0.609433  0.458054  0.496732  1
  Al  Al124  1  0.979909  0.510900  0.451289  1
  Al  Al125  1  0.396937  0.192241  0.509607  1
  Al  Al126  1  0.767251  0.245055  0.464066  1
  Al  Al127  1  0.896937  0.692241  0.509607  1
  Al  Al128  1  0.267251  0.745055  0.464066  1
  Al  Al129  1  0.236657  0.416035  0.493558  1
  Al  Al130  1  0.866181  0.363189  0.539002  1
  Al  Al131  1  0.736657  0.916035  0.493558  1
  Al  Al132  1  0.366181  0.863189  0.539002  1
  Al  Al133  1  0.292898  0.094698  0.466481  1
  Al  Al134  1  0.922409  0.042260  0.512128  1
  Al  Al135  1  0.792898  0.594698  0.466481  1
  Al  Al136  1  0.422409  0.542260  0.512128  1
  Al  Al137  1  0.032979  0.347927  0.464371  1
  Al  Al138  1  0.662385  0.295164  0.509753  1
  Al  Al139  1  0.532979  0.847927  0.464371  1
  Al  Al140  1  0.162385  0.795164  0.509753  1
  Al  Al141  1  0.053192  0.279391  0.523809  1
  Al  Al142  1  0.423681  0.331829  0.478163  1
  Al  Al143  1  0.553192  0.779391  0.523809  1
  Al  Al144  1  0.923681  0.831829  0.478163  1
  Al  Al145  1  0.571721  0.922047  0.617107  1
  Al  Al146  1  0.943021  0.972990  0.571696  1
  Al  Al147  1  0.071721  0.422047  0.617107  1
  Al  Al148  1  0.443021  0.472990  0.571696  1
  Al  Al149  1  0.208978  0.076807  0.571351  1
  Al  Al150  1  0.838943  0.023816  0.617875  1
  Al  Al151  1  0.708978  0.576807  0.571351  1
  Al  Al152  1  0.338943  0.523816  0.617875  1
  Al  Al153  1  0.155247  0.891904  0.552967  1
  Al  Al154  1  0.785601  0.839578  0.598466  1
  Al  Al155  1  0.655247  0.391904  0.552967  1
  Al  Al156  1  0.285601  0.339578  0.598466  1
  Al  Al157  1  0.444118  0.128290  0.566231  1
  Al  Al158  1  0.071979  0.074651  0.610782  1
  Al  Al159  1  0.944118  0.628290  0.566231  1
  Al  Al160  1  0.571979  0.574651  0.610782  1
  Al  Al161  1  0.422362  0.034830  0.606528  1
  Al  Al162  1  0.791240  0.087987  0.561041  1
  Al  Al163  1  0.922362  0.534830  0.606528  1
  Al  Al164  1  0.291240  0.587987  0.561041  1
  Al  Al165  1  0.710610  0.271005  0.619793  1
  Al  Al166  1  0.079669  0.324493  0.574170  1
  Al  Al167  1  0.210610  0.771005  0.619793  1
  Al  Al168  1  0.579669  0.824493  0.574170  1
  Al  Al169  1  0.368371  0.852975  0.587935  1
  Al  Al170  1  0.739397  0.905347  0.542621  1
  Al  Al171  1  0.868371  0.352975  0.587935  1
  Al  Al172  1  0.239397  0.405347  0.542621  1
  Al  Al173  1  0.657819  0.087230  0.601322  1
  Al  Al174  1  0.025682  0.139045  0.555229  1
  Al  Al175  1  0.157819  0.587230  0.601322  1
  Al  Al176  1  0.525682  0.639045  0.555229  1
  Al  Al177  1  0.496264  0.309894  0.584649  1
  Al  Al178  1  0.124326  0.260405  0.629332  1
  Al  Al179  1  0.996264  0.809894  0.584649  1
  Al  Al180  1  0.624326  0.760405  0.629332  1
  Al  Al181  1  0.552649  0.989457  0.557854  1
  Al  Al182  1  0.181505  0.936231  0.603060  1
  Al  Al183  1  0.052649  0.489457  0.557854  1
  Al  Al184  1  0.681505  0.436231  0.603060  1
  Al  Al185  1  0.292758  0.242589  0.555350  1
  Al  Al186  1  0.920268  0.190005  0.601164  1
  Al  Al187  1  0.792758  0.742589  0.555350  1
  Al  Al188  1  0.420268  0.690005  0.601164  1
  Al  Al189  1  0.313069  0.174327  0.614131  1
  Al  Al190  1  0.682856  0.226329  0.569459  1
  Al  Al191  1  0.813069  0.674327  0.614131  1
  Al  Al192  1  0.182856  0.726329  0.569459  1
  Al  Al193  1  0.837759  0.817011  0.706464  1
  Al  Al194  1  0.206071  0.868037  0.663739  1
  Al  Al195  1  0.337759  0.317011  0.706464  1
  Al  Al196  1  0.706071  0.368037  0.663739  1
  Al  Al197  1  0.465110  0.971549  0.662881  1
  Al  Al198  1  0.091851  0.910547  0.708636  1
  Al  Al199  1  0.965110  0.471549  0.662881  1
  Al  Al200  1  0.591851  0.410547  0.708636  1
  Al  Al201  1  0.414183  0.786668  0.644791  1
  Al  Al202  1  0.042133  0.738425  0.689879  1
  Al  Al203  1  0.914183  0.286668  0.644791  1
  Al  Al204  1  0.542133  0.238425  0.689879  1
  Al  Al205  1  0.701942  0.023753  0.657434  1
  Al  Al206  1  0.333476  0.972565  0.703822  1
  Al  Al207  1  0.201942  0.523753  0.657434  1
  Al  Al208  1  0.833476  0.472565  0.703822  1
  Al  Al209  1  0.676466  0.929843  0.698031  1
  Al  Al210  1  0.050930  0.984014  0.651631  1
  Al  Al211  1  0.176466  0.429843  0.698031  1
  Al  Al212  1  0.550930  0.484014  0.651631  1
  Al  Al213  1  0.976227  0.160294  0.710012  1
  Al  Al214  1  0.337943  0.220420  0.664278  1
  Al  Al215  1  0.476227  0.660294  0.710012  1
  Al  Al216  1  0.837943  0.720420  0.664278  1
  Al  Al217  1  0.628885  0.748646  0.677528  1
  Al  Al218  1  1.000785  0.799619  0.633450  1
  Al  Al219  1  0.128885  0.248646  0.677528  1
  Al  Al220  1  0.500785  0.299619  0.633450  1
  Al  Al221  1  0.919955  0.984635  0.692011  1
  Al  Al222  1  0.282314  0.032813  0.645412  1
  Al  Al223  1  0.419955  0.484635  0.692011  1
  Al  Al224  1  0.782314  0.532813  0.645412  1
  Al  Al225  1  0.757723  0.204146  0.677369  1
  Al  Al226  1  0.366692  0.150716  0.719146  1
  Al  Al227  1  0.257723  0.704146  0.677369  1
  Al  Al228  1  0.866692  0.650716  0.719146  1
  Al  Al229  1  0.810117  0.885420  0.649668  1
  Al  Al230  1  0.447759  0.830798  0.693768  1
  Al  Al231  1  0.310117  0.385420  0.649668  1
  Al  Al232  1  0.947759  0.330798  0.693768  1
  Al  Al233  1  0.552878  0.138829  0.647410  1
  Al  Al234  1  0.169303  0.082149  0.690511  1
  Al  Al235  1  0.052878  0.638829  0.647410  1
  Al  Al236  1  0.669303  0.582149  0.690511  1
  Al  Al237  1  0.573151  0.078192  0.700872  1
  Al  Al238  1  0.943699  0.121552  0.660213  1
  Al  Al239  1  0.073151  0.578192  0.700872  1
  Al  Al240  1  0.443699  0.621552  0.660213  1
  Ni  Ni241  1  0.568066  0.222911  0.354642  1
  Ni  Ni242  1  0.949862  0.275868  0.311413  1
  Ni  Ni243  1  0.068066  0.722911  0.354642  1
  Ni  Ni244  1  0.449862  0.775868  0.311413  1
  Ni  Ni245  1  0.559472  0.295714  0.293670  1
  Ni  Ni246  1  0.189236  0.239782  0.341513  1
  Ni  Ni247  1  0.059472  0.795714  0.293670  1
  Ni  Ni248  1  0.689236  0.739782  0.341513  1
  Ni  Ni249  1  0.728993  0.578781  0.271215  1
  Ni  Ni250  1  0.368065  0.516738  0.317561  1
  Ni  Ni251  1  0.228993  0.078781  0.271215  1
  Ni  Ni252  1  0.868065  0.016738  0.317561  1
  Ni  Ni253  1  0.748747  0.499244  0.331789  1
  Ni  Ni254  1  0.108946  0.555971  0.284489  1
  Ni  Ni255  1  0.248747  0.999244  0.331789  1
  Ni  Ni256  1  0.608946  0.055971  0.284489  1
  Ni  Ni257  1  0.827564  0.118426  0.446519  1
  Ni  Ni258  1  0.198939  0.170943  0.401161  1
  Ni  Ni259  1  0.327564  0.618426  0.446519  1
  Ni  Ni260  1  0.698939  0.670943  0.401161  1
  Ni  Ni261  1  0.819017  0.189625  0.385041  1
  Ni  Ni262  1  0.449300  0.136144  0.430897  1
  Ni  Ni263  1  0.319017  0.689625  0.385041  1
  Ni  Ni264  1  0.949300  0.636144  0.430897  1
  Ni  Ni265  1  1.000245  0.467177  0.361486  1
  Ni  Ni266  1  0.628439  0.413276  0.406817  1
  Ni  Ni267  1  0.500245  0.967177  0.361486  1
  Ni  Ni268  1  0.128439  0.913276  0.406817  1
  Ni  Ni269  1  0.007357  0.395715  0.422710  1
  Ni  Ni270  1  0.378454  0.449600  0.376783  1
  Ni  Ni271  1  0.507357  0.895715  0.422710  1
  Ni  Ni272  1  0.878454  0.949600  0.376783  1
  Ni  Ni273  1  0.086731  0.012681  0.537519  1
  Ni  Ni274  1  0.457605  0.065707  0.492030  1
  Ni  Ni275  1  0.586731  0.512681  0.537519  1
  Ni  Ni276  1  0.957605  0.565707  0.492030  1
  Ni  Ni277  1  0.079399  0.083584  0.476584  1
  Ni  Ni278  1  0.708894  0.030734  0.522240  1
  Ni  Ni279  1  0.579399  0.583584  0.476584  1
  Ni  Ni280  1  0.208894  0.530734  0.522240  1
  Ni  Ni281  1  0.259359  0.361408  0.452772  1
  Ni  Ni282  1  0.888485  0.308382  0.498261  1
  Ni  Ni283  1  0.759359  0.861408  0.452772  1
  Ni  Ni284  1  0.388485  0.808382  0.498261  1
  Ni  Ni285  1  0.266691  0.290505  0.513707  1
  Ni  Ni286  1  0.637196  0.343355  0.468051  1
  Ni  Ni287  1  0.766691  0.790505  0.513707  1
  Ni  Ni288  1  0.137196  0.843355  0.468051  1
  Ni  Ni289  1  0.345845  0.906913  0.628805  1
  Ni  Ni290  1  0.717652  0.960813  0.583474  1
  Ni  Ni291  1  0.845845  0.406913  0.628805  1
  Ni  Ni292  1  0.217652  0.460813  0.583474  1
  Ni  Ni293  1  0.338734  0.978374  0.567581  1
  Ni  Ni294  1  0.967637  0.924489  0.613507  1
  Ni  Ni295  1  0.838734  0.478374  0.567581  1
  Ni  Ni296  1  0.467637  0.424489  0.613507  1
  Ni  Ni297  1  0.518526  0.255663  0.543772  1
  Ni  Ni298  1  0.147151  0.203147  0.589130  1
  Ni  Ni299  1  0.018526  0.755663  0.543772  1
  Ni  Ni300  1  0.647151  0.703147  0.589130  1
  Ni  Ni301  1  0.527073  0.184464  0.605250  1
  Ni  Ni302  1  0.896791  0.237945  0.559394  1
  Ni  Ni303  1  0.027073  0.684464  0.605250  1
  Ni  Ni304  1  0.396791  0.737945  0.559394  1
  Ni  Ni305  1  0.617097  0.795308  0.719076  1
  Ni  Ni306  1  0.978025  0.857351  0.672730  1
  Ni  Ni307  1  0.117097  0.295308  0.719076  1
  Ni  Ni308  1  0.478025  0.357351  0.672730  1
  Ni  Ni309  1  0.597343  0.874846  0.658502  1
  Ni  Ni310  1  0.237144  0.818118  0.705802  1
  Ni  Ni311  1  0.097343  0.374846  0.658502  1
  Ni  Ni312  1  0.737144  0.318118  0.705802  1
  Ni  Ni313  1  0.778024  0.151179  0.635649  1
  Ni  Ni314  1  0.396228  0.098221  0.678878  1
  Ni  Ni315  1  0.278024  0.651179  0.635649  1
  Ni  Ni316  1  0.896228  0.598221  0.678878  1
  Ni  Ni317  1  0.786618  0.078375  0.696621  1
  Ni  Ni318  1  0.156854  0.134307  0.648777  1
  Ni  Ni319  1  0.286618  0.578375  0.696621  1
  Ni  Ni320  1  0.656854  0.634307  0.648777  1
