# generated using pymatgen
data_Al3Ni5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.80128945
_cell_length_b   12.93018013
_cell_length_c   48.88535819
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   71.94780141
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni5
_chemical_formula_sum   'Al90 Ni150'
_cell_volume   5890.39149717
_cell_formula_units_Z   30
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  0.272072  0.457972  0.322142  1
  Al  Al2  1  0.156283  0.740432  0.351822  1
  Al  Al3  1  0.389390  0.171676  0.288248  1
  Al  Al4  1  0.392503  0.557835  0.361214  1
  Al  Al5  1  0.623364  0.990582  0.300611  1
  Al  Al6  1  0.509789  0.274545  0.330994  1
  Al  Al7  1  0.032824  0.642195  0.312143  1
  Al  Al8  1  0.919905  0.924048  0.342623  1
  Al  Al9  1  0.153778  0.358006  0.281296  1
  Al  Al10  1  0.772072  0.457972  0.322142  1
  Al  Al11  1  0.656283  0.740432  0.351822  1
  Al  Al12  1  0.889390  0.171676  0.288248  1
  Al  Al13  1  0.892503  0.557835  0.361214  1
  Al  Al14  1  0.123364  0.990582  0.300611  1
  Al  Al15  1  0.009789  0.274545  0.330994  1
  Al  Al16  1  0.532824  0.642195  0.312143  1
  Al  Al17  1  0.419905  0.924048  0.342623  1
  Al  Al18  1  0.653778  0.358006  0.281296  1
  Al  Al19  1  0.926284  0.304671  0.412180  1
  Al  Al20  1  0.810761  0.586933  0.442469  1
  Al  Al21  1  0.040106  0.023471  0.381670  1
  Al  Al22  1  0.046165  0.404074  0.452037  1
  Al  Al23  1  0.276684  0.839976  0.391637  1
  Al  Al24  1  0.161012  0.122286  0.421862  1
  Al  Al25  1  0.691009  0.487603  0.402571  1
  Al  Al26  1  0.574750  0.770077  0.432950  1
  Al  Al27  1  0.806711  0.205096  0.371891  1
  Al  Al28  1  0.426284  0.304671  0.412180  1
  Al  Al29  1  0.310761  0.586933  0.442469  1
  Al  Al30  1  0.540106  0.023471  0.381670  1
  Al  Al31  1  0.546165  0.404074  0.452037  1
  Al  Al32  1  0.776684  0.839976  0.391637  1
  Al  Al33  1  0.661012  0.122286  0.421862  1
  Al  Al34  1  0.191009  0.487603  0.402571  1
  Al  Al35  1  0.074750  0.770077  0.432950  1
  Al  Al36  1  0.306711  0.205096  0.371891  1
  Al  Al37  1  0.579206  0.151399  0.503065  1
  Al  Al38  1  0.463578  0.433494  0.533359  1
  Al  Al39  1  0.694664  0.869447  0.472755  1
  Al  Al40  1  0.699296  0.250690  0.542952  1
  Al  Al41  1  0.930480  0.686337  0.482398  1
  Al  Al42  1  0.814971  0.968583  0.512698  1
  Al  Al43  1  0.343419  0.334259  0.493445  1
  Al  Al44  1  0.227500  0.616736  0.523771  1
  Al  Al45  1  0.459013  0.052153  0.463188  1
  Al  Al46  1  0.079206  0.151399  0.503065  1
  Al  Al47  1  0.963578  0.433494  0.533359  1
  Al  Al48  1  0.194664  0.869447  0.472755  1
  Al  Al49  1  0.199296  0.250690  0.542952  1
  Al  Al50  1  0.430480  0.686337  0.482398  1
  Al  Al51  1  0.314971  0.968583  0.512698  1
  Al  Al52  1  0.843419  0.334259  0.493445  1
  Al  Al53  1  0.727500  0.616736  0.523771  1
  Al  Al54  1  0.959013  0.052153  0.463188  1
  Al  Al55  1  0.232617  0.998074  0.594031  1
  Al  Al56  1  0.118109  0.279456  0.624318  1
  Al  Al57  1  0.347026  0.716270  0.563671  1
  Al  Al58  1  0.351596  0.097528  0.634259  1
  Al  Al59  1  0.583571  0.532832  0.573114  1
  Al  Al60  1  0.467086  0.815605  0.603782  1
  Al  Al61  1  0.997459  0.180426  0.584211  1
  Al  Al62  1  0.880840  0.463386  0.614505  1
  Al  Al63  1  0.112165  0.898842  0.554166  1
  Al  Al64  1  0.732617  0.998074  0.594031  1
  Al  Al65  1  0.618109  0.279456  0.624318  1
  Al  Al66  1  0.847026  0.716270  0.563671  1
  Al  Al67  1  0.851596  0.097528  0.634259  1
  Al  Al68  1  0.083571  0.532832  0.573114  1
  Al  Al69  1  0.967086  0.815605  0.603782  1
  Al  Al70  1  0.497459  0.180426  0.584211  1
  Al  Al71  1  0.380840  0.463386  0.614505  1
  Al  Al72  1  0.612165  0.898842  0.554166  1
  Al  Al73  1  0.893173  0.844908  0.684264  1
  Al  Al74  1  0.767761  0.133817  0.717823  1
  Al  Al75  1  0.001079  0.562745  0.653995  1
  Al  Al76  1  0.003332  0.942133  0.724577  1
  Al  Al77  1  0.238790  0.378883  0.663180  1
  Al  Al78  1  0.123442  0.663862  0.695321  1
  Al  Al79  1  0.647470  0.029862  0.674875  1
  Al  Al80  1  0.534743  0.312974  0.705362  1
  Al  Al81  1  0.766385  0.744974  0.644806  1
  Al  Al82  1  0.393173  0.844908  0.684264  1
  Al  Al83  1  0.267761  0.133817  0.717823  1
  Al  Al84  1  0.501079  0.562745  0.653995  1
  Al  Al85  1  0.503332  0.942133  0.724577  1
  Al  Al86  1  0.738790  0.378883  0.663180  1
  Al  Al87  1  0.623442  0.663862  0.695321  1
  Al  Al88  1  0.147470  0.029862  0.674875  1
  Al  Al89  1  0.034743  0.312974  0.705362  1
  Al  Al90  1  0.266385  0.744974  0.644806  1
  Ni  Ni91  1  0.447658  0.535311  0.276904  1
  Ni  Ni92  1  0.326350  0.816521  0.306257  1
  Ni  Ni93  1  0.215163  0.098681  0.336591  1
  Ni  Ni94  1  0.199014  0.535714  0.277062  1
  Ni  Ni95  1  0.077201  0.816087  0.306343  1
  Ni  Ni96  1  0.964997  0.099904  0.335569  1
  Ni  Ni97  1  0.522852  0.457257  0.321758  1
  Ni  Ni98  1  0.405496  0.741045  0.351886  1
  Ni  Ni99  1  0.637958  0.174750  0.291034  1
  Ni  Ni100  1  0.290059  0.635625  0.315275  1
  Ni  Ni101  1  0.177437  0.916841  0.346215  1
  Ni  Ni102  1  0.409541  0.353498  0.285778  1
  Ni  Ni103  1  0.134470  0.564683  0.357441  1
  Ni  Ni104  1  0.367591  0.995824  0.296976  1
  Ni  Ni105  1  0.254293  0.279731  0.326241  1
  Ni  Ni106  1  0.947658  0.535311  0.276904  1
  Ni  Ni107  1  0.826350  0.816521  0.306257  1
  Ni  Ni108  1  0.715163  0.098681  0.336591  1
  Ni  Ni109  1  0.699014  0.535714  0.277062  1
  Ni  Ni110  1  0.577201  0.816087  0.306343  1
  Ni  Ni111  1  0.464997  0.099904  0.335569  1
  Ni  Ni112  1  0.022852  0.457257  0.321758  1
  Ni  Ni113  1  0.905496  0.741045  0.351886  1
  Ni  Ni114  1  0.137958  0.174750  0.291034  1
  Ni  Ni115  1  0.790059  0.635625  0.315275  1
  Ni  Ni116  1  0.677437  0.916841  0.346215  1
  Ni  Ni117  1  0.909541  0.353498  0.285778  1
  Ni  Ni118  1  0.634470  0.564683  0.357441  1
  Ni  Ni119  1  0.867591  0.995824  0.296976  1
  Ni  Ni120  1  0.754293  0.279731  0.326241  1
  Ni  Ni121  1  0.101657  0.381074  0.366590  1
  Ni  Ni122  1  0.983786  0.663893  0.397146  1
  Ni  Ni123  1  0.867905  0.945996  0.427493  1
  Ni  Ni124  1  0.851199  0.381082  0.366785  1
  Ni  Ni125  1  0.733867  0.663829  0.397097  1
  Ni  Ni126  1  0.617815  0.946395  0.427263  1
  Ni  Ni127  1  0.176531  0.304668  0.412044  1
  Ni  Ni128  1  0.060726  0.587015  0.442473  1
  Ni  Ni129  1  0.289985  0.022907  0.382213  1
  Ni  Ni130  1  0.948390  0.480925  0.406446  1
  Ni  Ni131  1  0.832026  0.763329  0.436880  1
  Ni  Ni132  1  0.063641  0.198867  0.376186  1
  Ni  Ni133  1  0.788850  0.410704  0.448141  1
  Ni  Ni134  1  0.019475  0.846767  0.387729  1
  Ni  Ni135  1  0.903848  0.128659  0.417812  1
  Ni  Ni136  1  0.601657  0.381074  0.366590  1
  Ni  Ni137  1  0.483786  0.663893  0.397146  1
  Ni  Ni138  1  0.367905  0.945996  0.427493  1
  Ni  Ni139  1  0.351199  0.381082  0.366785  1
  Ni  Ni140  1  0.233867  0.663829  0.397097  1
  Ni  Ni141  1  0.117815  0.946395  0.427263  1
  Ni  Ni142  1  0.676531  0.304668  0.412044  1
  Ni  Ni143  1  0.560726  0.587015  0.442473  1
  Ni  Ni144  1  0.789985  0.022907  0.382213  1
  Ni  Ni145  1  0.448390  0.480925  0.406446  1
  Ni  Ni146  1  0.332026  0.763329  0.436880  1
  Ni  Ni147  1  0.563641  0.198867  0.376186  1
  Ni  Ni148  1  0.288850  0.410704  0.448141  1
  Ni  Ni149  1  0.519475  0.846767  0.387729  1
  Ni  Ni150  1  0.403848  0.128659  0.417812  1
  Ni  Ni151  1  0.752358  0.228185  0.457602  1
  Ni  Ni152  1  0.636797  0.510399  0.487894  1
  Ni  Ni153  1  0.521367  0.792557  0.518290  1
  Ni  Ni154  1  0.502280  0.228161  0.457664  1
  Ni  Ni155  1  0.386820  0.510297  0.487937  1
  Ni  Ni156  1  0.271298  0.792745  0.518207  1
  Ni  Ni157  1  0.829201  0.151390  0.503085  1
  Ni  Ni158  1  0.713560  0.433692  0.533247  1
  Ni  Ni159  1  0.944736  0.869209  0.472864  1
  Ni  Ni160  1  0.600718  0.327716  0.497372  1
  Ni  Ni161  1  0.484775  0.610012  0.527702  1
  Ni  Ni162  1  0.716281  0.045634  0.467129  1
  Ni  Ni163  1  0.442056  0.257214  0.538986  1
  Ni  Ni164  1  0.673219  0.693026  0.478453  1
  Ni  Ni165  1  0.557645  0.975115  0.508786  1
  Ni  Ni166  1  0.252358  0.228185  0.457602  1
  Ni  Ni167  1  0.136797  0.510399  0.487894  1
  Ni  Ni168  1  0.021367  0.792557  0.518290  1
  Ni  Ni169  1  0.002280  0.228161  0.457664  1
  Ni  Ni170  1  0.886820  0.510297  0.487937  1
  Ni  Ni171  1  0.771298  0.792745  0.518207  1
  Ni  Ni172  1  0.329201  0.151390  0.503085  1
  Ni  Ni173  1  0.213560  0.433692  0.533247  1
  Ni  Ni174  1  0.444736  0.869209  0.472864  1
  Ni  Ni175  1  0.100718  0.327716  0.497372  1
  Ni  Ni176  1  0.984775  0.610012  0.527702  1
  Ni  Ni177  1  0.216281  0.045634  0.467129  1
  Ni  Ni178  1  0.942056  0.257214  0.538986  1
  Ni  Ni179  1  0.173219  0.693026  0.478453  1
  Ni  Ni180  1  0.057645  0.975115  0.508786  1
  Ni  Ni181  1  0.406153  0.074553  0.548583  1
  Ni  Ni182  1  0.290214  0.356903  0.578588  1
  Ni  Ni183  1  0.174801  0.638994  0.609054  1
  Ni  Ni184  1  0.156259  0.074616  0.548474  1
  Ni  Ni185  1  0.040152  0.356584  0.578842  1
  Ni  Ni186  1  0.924746  0.639405  0.608836  1
  Ni  Ni187  1  0.482330  0.997988  0.594246  1
  Ni  Ni188  1  0.368353  0.279897  0.623776  1
  Ni  Ni189  1  0.597051  0.716014  0.563784  1
  Ni  Ni190  1  0.254627  0.174080  0.588300  1
  Ni  Ni191  1  0.138405  0.456247  0.618280  1
  Ni  Ni192  1  0.369543  0.892219  0.558053  1
  Ni  Ni193  1  0.094479  0.103958  0.629847  1
  Ni  Ni194  1  0.326178  0.539687  0.569228  1
  Ni  Ni195  1  0.209589  0.822244  0.599813  1
  Ni  Ni196  1  0.906153  0.074553  0.548583  1
  Ni  Ni197  1  0.790214  0.356903  0.578588  1
  Ni  Ni198  1  0.674801  0.638994  0.609054  1
  Ni  Ni199  1  0.656259  0.074616  0.548474  1
  Ni  Ni200  1  0.540152  0.356584  0.578842  1
  Ni  Ni201  1  0.424746  0.639405  0.608836  1
  Ni  Ni202  1  0.982330  0.997988  0.594246  1
  Ni  Ni203  1  0.868353  0.279897  0.623776  1
  Ni  Ni204  1  0.097051  0.716014  0.563784  1
  Ni  Ni205  1  0.754627  0.174080  0.588300  1
  Ni  Ni206  1  0.638405  0.456247  0.618280  1
  Ni  Ni207  1  0.869543  0.892219  0.558053  1
  Ni  Ni208  1  0.594479  0.103958  0.629847  1
  Ni  Ni209  1  0.826178  0.539687  0.569228  1
  Ni  Ni210  1  0.709589  0.822244  0.599813  1
  Ni  Ni211  1  0.056245  0.921182  0.640093  1
  Ni  Ni212  1  0.943072  0.204864  0.669460  1
  Ni  Ni213  1  0.832498  0.486419  0.699553  1
  Ni  Ni214  1  0.806726  0.921465  0.639719  1
  Ni  Ni215  1  0.693189  0.203884  0.670374  1
  Ni  Ni216  1  0.582015  0.486958  0.698999  1
  Ni  Ni217  1  0.143332  0.844686  0.685015  1
  Ni  Ni218  1  0.019194  0.128588  0.715100  1
  Ni  Ni219  1  0.250697  0.562685  0.654551  1
  Ni  Ni220  1  0.903075  0.024670  0.679938  1
  Ni  Ni221  1  0.790417  0.308344  0.708966  1
  Ni  Ni222  1  0.024865  0.737641  0.648787  1
  Ni  Ni223  1  0.745230  0.953233  0.719620  1
  Ni  Ni224  1  0.980866  0.386384  0.659694  1
  Ni  Ni225  1  0.867415  0.667990  0.690678  1
  Ni  Ni226  1  0.556245  0.921182  0.640093  1
  Ni  Ni227  1  0.443072  0.204864  0.669460  1
  Ni  Ni228  1  0.332498  0.486419  0.699553  1
  Ni  Ni229  1  0.306726  0.921465  0.639719  1
  Ni  Ni230  1  0.193189  0.203884  0.670374  1
  Ni  Ni231  1  0.082015  0.486958  0.698999  1
  Ni  Ni232  1  0.643332  0.844686  0.685015  1
  Ni  Ni233  1  0.519194  0.128588  0.715100  1
  Ni  Ni234  1  0.750697  0.562685  0.654551  1
  Ni  Ni235  1  0.403075  0.024670  0.679938  1
  Ni  Ni236  1  0.290417  0.308344  0.708966  1
  Ni  Ni237  1  0.524865  0.737641  0.648787  1
  Ni  Ni238  1  0.245230  0.953233  0.719620  1
  Ni  Ni239  1  0.480866  0.386384  0.659694  1
  Ni  Ni240  1  0.367415  0.667990  0.690678  1
