# generated using pymatgen
data_AlNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.25616872
_cell_length_b   11.25792589
_cell_length_c   48.46707840
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   84.26082953
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlNi3
_chemical_formula_sum   'Al63 Ni189'
_cell_volume   6111.0159648
_cell_formula_units_Z   63
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  0.062912  0.396267  0.322284  1
  Al  Al2  1  0.396245  0.062933  0.322284  1
  Al  Al3  1  0.456306  0.456304  0.279322  1
  Al  Al4  1  0.729579  0.729600  0.322284  1
  Al  Al5  1  0.789640  0.122971  0.279322  1
  Al  Al6  1  0.757283  0.423974  0.299609  1
  Al  Al7  1  0.122973  0.789637  0.279322  1
  Al  Al8  1  0.090617  0.090641  0.299609  1
  Al  Al9  1  0.423950  0.757307  0.299609  1
  Al  Al10  1  0.972447  0.305826  0.388374  1
  Al  Al11  1  0.305781  0.972492  0.388374  1
  Al  Al12  1  0.366303  0.366335  0.343535  1
  Al  Al13  1  0.639114  0.639159  0.388374  1
  Al  Al14  1  0.699636  0.033002  0.343535  1
  Al  Al15  1  0.669522  0.336224  0.366053  1
  Al  Al16  1  0.032969  0.699669  0.343535  1
  Al  Al17  1  0.002855  0.002891  0.366053  1
  Al  Al18  1  0.336188  0.669558  0.366053  1
  Al  Al19  1  0.880753  0.214152  0.455305  1
  Al  Al20  1  0.214086  0.880819  0.455305  1
  Al  Al21  1  0.275189  0.275240  0.410762  1
  Al  Al22  1  0.547419  0.547485  0.455305  1
  Al  Al23  1  0.608522  0.941907  0.410762  1
  Al  Al24  1  0.577953  0.244679  0.432985  1
  Al  Al25  1  0.941855  0.608573  0.410762  1
  Al  Al26  1  0.911286  0.911346  0.432985  1
  Al  Al27  1  0.244620  0.578012  0.432985  1
  Al  Al28  1  0.789152  0.122573  0.522182  1
  Al  Al29  1  0.122486  0.789240  0.522182  1
  Al  Al30  1  0.183557  0.183630  0.477597  1
  Al  Al31  1  0.455819  0.455906  0.522182  1
  Al  Al32  1  0.516890  0.850297  0.477597  1
  Al  Al33  1  0.486355  0.153102  0.499889  1
  Al  Al34  1  0.850224  0.516964  0.477597  1
  Al  Al35  1  0.819688  0.819768  0.499889  1
  Al  Al36  1  0.153021  0.486435  0.499889  1
  Al  Al37  1  0.697521  0.030964  0.589016  1
  Al  Al38  1  0.030854  0.697630  0.589016  1
  Al  Al39  1  0.091957  0.092051  0.544473  1
  Al  Al40  1  0.364188  0.364297  0.589016  1
  Al  Al41  1  0.425290  0.758718  0.544473  1
  Al  Al42  1  0.394756  0.061524  0.566793  1
  Al  Al43  1  0.758623  0.425385  0.544473  1
  Al  Al44  1  0.728090  0.728191  0.566793  1
  Al  Al45  1  0.061423  0.394858  0.566793  1
  Al  Al46  1  0.606407  0.939868  0.656244  1
  Al  Al47  1  0.939740  0.606535  0.656244  1
  Al  Al48  1  1.000262  1.000378  0.611404  1
  Al  Al49  1  0.273073  0.273201  0.656244  1
  Al  Al50  1  0.333595  0.667044  0.611404  1
  Al  Al51  1  0.303188  0.969979  0.633725  1
  Al  Al52  1  0.666929  0.333711  0.611404  1
  Al  Al53  1  0.636521  0.636646  0.633725  1
  Al  Al54  1  0.969855  0.303312  0.633725  1
  Al  Al55  1  0.516403  0.849899  0.720457  1
  Al  Al56  1  0.849736  0.516566  0.720457  1
  Al  Al57  1  0.909797  0.909937  0.677494  1
  Al  Al58  1  0.183070  0.183233  0.720457  1
  Al  Al59  1  0.243131  0.576603  0.677494  1
  Al  Al60  1  0.215426  0.882230  0.700169  1
  Al  Al61  1  0.576464  0.243270  0.677494  1
  Al  Al62  1  0.548759  0.548896  0.700169  1
  Al  Al63  1  0.882093  0.215563  0.700169  1
  Ni  Ni64  1  0.955127  0.455541  0.278373  1
  Ni  Ni65  1  0.288461  0.122207  0.278373  1
  Ni  Ni66  1  0.258192  0.424535  0.299487  1
  Ni  Ni67  1  0.621794  0.788874  0.278373  1
  Ni  Ni68  1  0.591526  0.091201  0.299487  1
  Ni  Ni69  1  0.562846  0.396237  0.322372  1
  Ni  Ni70  1  0.924859  0.757868  0.299487  1
  Ni  Ni71  1  0.896179  0.062903  0.322372  1
  Ni  Ni72  1  0.229512  0.729570  0.322372  1
  Ni  Ni73  1  0.925540  0.258897  0.299799  1
  Ni  Ni74  1  0.258874  0.925564  0.299799  1
  Ni  Ni75  1  0.229009  0.229031  0.322234  1
  Ni  Ni76  1  0.592207  0.592231  0.299799  1
  Ni  Ni77  1  0.562343  0.895698  0.322234  1
  Ni  Ni78  1  0.620079  0.286745  0.278804  1
  Ni  Ni79  1  0.895676  0.562365  0.322234  1
  Ni  Ni80  1  0.953412  0.953411  0.278804  1
  Ni  Ni81  1  0.286745  0.620078  0.278804  1
  Ni  Ni82  1  0.122206  0.288461  0.278373  1
  Ni  Ni83  1  0.455539  0.955128  0.278373  1
  Ni  Ni84  1  0.424509  0.258216  0.299487  1
  Ni  Ni85  1  0.788873  0.621795  0.278373  1
  Ni  Ni86  1  0.757843  0.924883  0.299487  1
  Ni  Ni87  1  0.729550  0.229533  0.322372  1
  Ni  Ni88  1  0.091176  0.591550  0.299487  1
  Ni  Ni89  1  0.062883  0.896200  0.322372  1
  Ni  Ni90  1  0.396216  0.562866  0.322372  1
  Ni  Ni91  1  0.866339  0.366414  0.343869  1
  Ni  Ni92  1  0.199672  0.033080  0.343869  1
  Ni  Ni93  1  0.169710  0.336232  0.366263  1
  Ni  Ni94  1  0.533005  0.699747  0.343869  1
  Ni  Ni95  1  0.503043  0.002899  0.366263  1
  Ni  Ni96  1  0.472280  0.305735  0.388334  1
  Ni  Ni97  1  0.836377  0.669565  0.366263  1
  Ni  Ni98  1  0.805613  0.972401  0.388334  1
  Ni  Ni99  1  0.138947  0.639068  0.388334  1
  Ni  Ni100  1  0.836093  0.169462  0.366369  1
  Ni  Ni101  1  0.169426  0.836129  0.366369  1
  Ni  Ni102  1  0.138967  0.139012  0.388428  1
  Ni  Ni103  1  0.502759  0.502796  0.366369  1
  Ni  Ni104  1  0.472301  0.805679  0.388428  1
  Ni  Ni105  1  0.532782  0.199481  0.343842  1
  Ni  Ni106  1  0.805634  0.472346  0.388428  1
  Ni  Ni107  1  0.866116  0.866148  0.343842  1
  Ni  Ni108  1  0.199449  0.532814  0.343842  1
  Ni  Ni109  1  0.033048  0.199705  0.343869  1
  Ni  Ni110  1  0.366381  0.866371  0.343869  1
  Ni  Ni111  1  0.336195  0.169746  0.366263  1
  Ni  Ni112  1  0.699714  0.533038  0.343869  1
  Ni  Ni113  1  0.669529  0.836413  0.366263  1
  Ni  Ni114  1  0.639023  0.138992  0.388334  1
  Ni  Ni115  1  0.002862  0.503080  0.366263  1
  Ni  Ni116  1  0.972356  0.805659  0.388334  1
  Ni  Ni117  1  0.305689  0.472325  0.388334  1
  Ni  Ni118  1  0.775118  0.275287  0.410727  1
  Ni  Ni119  1  0.108452  0.941954  0.410727  1
  Ni  Ni120  1  0.077941  0.244700  0.433004  1
  Ni  Ni121  1  0.441785  0.608620  0.410727  1
  Ni  Ni122  1  0.411274  0.911367  0.433004  1
  Ni  Ni123  1  0.380777  0.214177  0.455318  1
  Ni  Ni124  1  0.744607  0.578033  0.433004  1
  Ni  Ni125  1  0.714110  0.880844  0.455318  1
  Ni  Ni126  1  0.047443  0.547510  0.455318  1
  Ni  Ni127  1  0.744642  0.078034  0.432974  1
  Ni  Ni128  1  0.077975  0.744701  0.432974  1
  Ni  Ni129  1  0.047428  0.047494  0.455307  1
  Ni  Ni130  1  0.411308  0.411368  0.432974  1
  Ni  Ni131  1  0.380761  0.714160  0.455307  1
  Ni  Ni132  1  0.441888  0.108606  0.410758  1
  Ni  Ni133  1  0.714094  0.380827  0.455307  1
  Ni  Ni134  1  0.775221  0.775273  0.410758  1
  Ni  Ni135  1  0.108554  0.441939  0.410758  1
  Ni  Ni136  1  0.941902  0.108503  0.410727  1
  Ni  Ni137  1  0.275235  0.775170  0.410727  1
  Ni  Ni138  1  0.244641  0.078000  0.433004  1
  Ni  Ni139  1  0.608569  0.441837  0.410727  1
  Ni  Ni140  1  0.577974  0.744666  0.433004  1
  Ni  Ni141  1  0.547444  0.047509  0.455318  1
  Ni  Ni142  1  0.911307  0.411333  0.433004  1
  Ni  Ni143  1  0.880778  0.714176  0.455318  1
  Ni  Ni144  1  0.214111  0.380843  0.455318  1
  Ni  Ni145  1  0.683557  0.183628  0.477586  1
  Ni  Ni146  1  0.016890  0.850294  0.477586  1
  Ni  Ni147  1  0.986355  0.153102  0.499889  1
  Ni  Ni148  1  0.350224  0.516961  0.477586  1
  Ni  Ni149  1  0.319688  0.819768  0.499889  1
  Ni  Ni150  1  0.289152  0.122576  0.522192  1
  Ni  Ni151  1  0.653021  0.486435  0.499889  1
  Ni  Ni152  1  0.622486  0.789242  0.522192  1
  Ni  Ni153  1  0.955819  0.455909  0.522192  1
  Ni  Ni154  1  0.653021  0.986435  0.499889  1
  Ni  Ni155  1  0.986355  0.653102  0.499889  1
  Ni  Ni156  1  0.955821  0.955909  0.522179  1
  Ni  Ni157  1  0.319688  0.319768  0.499889  1
  Ni  Ni158  1  0.289154  0.622575  0.522179  1
  Ni  Ni159  1  0.350222  0.016962  0.477599  1
  Ni  Ni160  1  0.622488  0.289242  0.522179  1
  Ni  Ni161  1  0.683555  0.683628  0.477599  1
  Ni  Ni162  1  0.016888  0.350295  0.477599  1
  Ni  Ni163  1  0.850221  0.016964  0.477586  1
  Ni  Ni164  1  0.183554  0.683630  0.477586  1
  Ni  Ni165  1  0.153021  0.986435  0.499889  1
  Ni  Ni166  1  0.516888  0.350297  0.477586  1
  Ni  Ni167  1  0.486355  0.653102  0.499889  1
  Ni  Ni168  1  0.455822  0.955906  0.522192  1
  Ni  Ni169  1  0.819688  0.319768  0.499889  1
  Ni  Ni170  1  0.789155  0.622573  0.522192  1
  Ni  Ni171  1  0.122488  0.289240  0.522192  1
  Ni  Ni172  1  0.591933  0.092026  0.544460  1
  Ni  Ni173  1  0.925266  0.758693  0.544460  1
  Ni  Ni174  1  0.894769  0.061504  0.566774  1
  Ni  Ni175  1  0.258599  0.425360  0.544460  1
  Ni  Ni176  1  0.228102  0.728170  0.566774  1
  Ni  Ni177  1  0.197591  0.030917  0.589052  1
  Ni  Ni178  1  0.561435  0.394837  0.566774  1
  Ni  Ni179  1  0.530924  0.697583  0.589052  1
  Ni  Ni180  1  0.864258  0.364250  0.589052  1
  Ni  Ni181  1  0.561401  0.894836  0.566805  1
  Ni  Ni182  1  0.894734  0.561503  0.566805  1
  Ni  Ni183  1  0.864155  0.864264  0.589020  1
  Ni  Ni184  1  0.228068  0.228169  0.566805  1
  Ni  Ni185  1  0.197488  0.530931  0.589020  1
  Ni  Ni186  1  0.258615  0.925376  0.544471  1
  Ni  Ni187  1  0.530822  0.197598  0.589020  1
  Ni  Ni188  1  0.591948  0.592043  0.544471  1
  Ni  Ni189  1  0.925282  0.258710  0.544471  1
  Ni  Ni190  1  0.758598  0.925361  0.544460  1
  Ni  Ni191  1  0.091932  0.592027  0.544460  1
  Ni  Ni192  1  0.061402  0.894871  0.566774  1
  Ni  Ni193  1  0.425265  0.258694  0.544460  1
  Ni  Ni194  1  0.394735  0.561537  0.566774  1
  Ni  Ni195  1  0.364141  0.864367  0.589052  1
  Ni  Ni196  1  0.728069  0.228204  0.566774  1
  Ni  Ni197  1  0.697474  0.531034  0.589052  1
  Ni  Ni198  1  0.030807  0.197700  0.589052  1
  Ni  Ni199  1  0.500429  1.000469  0.611444  1
  Ni  Ni200  1  0.833763  0.667135  0.611444  1
  Ni  Ni201  1  0.802999  0.969971  0.633515  1
  Ni  Ni202  1  0.167096  0.333802  0.611444  1
  Ni  Ni203  1  0.136333  0.636638  0.633515  1
  Ni  Ni204  1  0.106371  0.939790  0.655909  1
  Ni  Ni205  1  0.469666  0.303305  0.633515  1
  Ni  Ni206  1  0.439704  0.606456  0.655909  1
  Ni  Ni207  1  0.773037  0.273123  0.655909  1
  Ni  Ni208  1  0.469950  0.803408  0.633410  1
  Ni  Ni209  1  0.803284  0.470074  0.633410  1
  Ni  Ni210  1  0.773260  0.773389  0.655936  1
  Ni  Ni211  1  0.136617  0.136741  0.633410  1
  Ni  Ni212  1  0.106594  0.440056  0.655936  1
  Ni  Ni213  1  0.167075  0.833858  0.611351  1
  Ni  Ni214  1  0.439927  0.106722  0.655936  1
  Ni  Ni215  1  0.500409  0.500524  0.611351  1
  Ni  Ni216  1  0.833742  0.167191  0.611351  1
  Ni  Ni217  1  0.667020  0.833878  0.611444  1
  Ni  Ni218  1  1.000353  0.500545  0.611444  1
  Ni  Ni219  1  0.969847  0.803124  0.633515  1
  Ni  Ni220  1  0.333687  0.167212  0.611444  1
  Ni  Ni221  1  0.303181  0.469790  0.633515  1
  Ni  Ni222  1  0.272995  0.773166  0.655909  1
  Ni  Ni223  1  0.636514  0.136457  0.633515  1
  Ni  Ni224  1  0.606328  0.439832  0.655909  1
  Ni  Ni225  1  0.939662  0.106499  0.655909  1
  Ni  Ni226  1  0.409864  0.909967  0.677406  1
  Ni  Ni227  1  0.743197  0.576634  0.677406  1
  Ni  Ni228  1  0.714517  0.881669  0.700291  1
  Ni  Ni229  1  0.076530  0.243300  0.677406  1
  Ni  Ni230  1  0.047850  0.548336  0.700291  1
  Ni  Ni231  1  0.017582  0.850663  0.721405  1
  Ni  Ni232  1  0.381184  0.215002  0.700291  1
  Ni  Ni233  1  0.350915  0.517330  0.721405  1
  Ni  Ni234  1  0.684249  0.183996  0.721405  1
  Ni  Ni235  1  0.380502  0.713973  0.699979  1
  Ni  Ni236  1  0.713836  0.380639  0.699979  1
  Ni  Ni237  1  0.685964  0.686125  0.720974  1
  Ni  Ni238  1  0.047169  0.047306  0.699979  1
  Ni  Ni239  1  0.019297  0.352792  0.720974  1
  Ni  Ni240  1  0.077033  0.743839  0.677544  1
  Ni  Ni241  1  0.352631  0.019459  0.720974  1
  Ni  Ni242  1  0.410367  0.410506  0.677544  1
  Ni  Ni243  1  0.743700  0.077172  0.677544  1
  Ni  Ni244  1  0.576493  0.743337  0.677406  1
  Ni  Ni245  1  0.909827  0.410004  0.677406  1
  Ni  Ni246  1  0.881533  0.714654  0.700291  1
  Ni  Ni247  1  0.243160  0.076670  0.677406  1
  Ni  Ni248  1  0.214867  0.381320  0.700291  1
  Ni  Ni249  1  0.183837  0.684409  0.721405  1
  Ni  Ni250  1  0.548200  0.047987  0.700291  1
  Ni  Ni251  1  0.517170  0.351075  0.721405  1
  Ni  Ni252  1  0.850503  0.017742  0.721405  1
