# generated using pymatgen
data_AlNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.12255997
_cell_length_b   11.12177895
_cell_length_c   48.13742167
_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   5924.87833955
_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  0.986768  0.320423  0.261375  1
  Al  Al2  1  0.320101  0.987090  0.261375  1
  Al  Al3  1  0.280866  0.281180  0.281545  1
  Al  Al4  1  0.653434  0.653757  0.261375  1
  Al  Al5  1  0.614199  0.947846  0.281545  1
  Al  Al6  1  0.588118  0.255072  0.304145  1
  Al  Al7  1  0.947532  0.614513  0.281545  1
  Al  Al8  1  0.921451  0.921738  0.304145  1
  Al  Al9  1  0.254784  0.588405  0.304145  1
  Al  Al10  1  0.889908  0.223536  0.325444  1
  Al  Al11  1  0.223242  0.890203  0.325444  1
  Al  Al12  1  0.193844  0.194139  0.348020  1
  Al  Al13  1  0.556575  0.556870  0.325444  1
  Al  Al14  1  0.527178  0.860806  0.348020  1
  Al  Al15  1  0.496689  0.163641  0.370063  1
  Al  Al16  1  0.860511  0.527473  0.348020  1
  Al  Al17  1  0.830022  0.830308  0.370063  1
  Al  Al18  1  0.163356  0.496974  0.370063  1
  Al  Al19  1  0.799216  0.132832  0.392239  1
  Al  Al20  1  0.132549  0.799498  0.392239  1
  Al  Al21  1  0.101788  0.102067  0.414448  1
  Al  Al22  1  0.465883  0.466165  0.392239  1
  Al  Al23  1  0.435121  0.768734  0.414448  1
  Al  Al24  1  0.404506  0.071449  0.436786  1
  Al  Al25  1  0.768454  0.435400  0.414448  1
  Al  Al26  1  0.737840  0.738115  0.436786  1
  Al  Al27  1  0.071173  0.404782  0.436786  1
  Al  Al28  1  0.707223  0.040827  0.459026  1
  Al  Al29  1  0.040556  0.707494  0.459026  1
  Al  Al30  1  0.009869  0.010137  0.481241  1
  Al  Al31  1  0.373889  0.374161  0.459026  1
  Al  Al32  1  0.343202  0.676804  0.481241  1
  Al  Al33  1  0.312506  0.979437  0.503460  1
  Al  Al34  1  0.676536  0.343470  0.481241  1
  Al  Al35  1  0.645839  0.646103  0.503460  1
  Al  Al36  1  0.979173  0.312770  0.503460  1
  Al  Al37  1  0.615191  0.948784  0.525714  1
  Al  Al38  1  0.948524  0.615451  0.525714  1
  Al  Al39  1  0.917886  0.918143  0.547970  1
  Al  Al40  1  0.281858  0.282118  0.525714  1
  Al  Al41  1  0.251220  0.584809  0.547970  1
  Al  Al42  1  0.220559  0.887478  0.570229  1
  Al  Al43  1  0.584553  0.251476  0.547970  1
  Al  Al44  1  0.553892  0.554145  0.570229  1
  Al  Al45  1  0.887225  0.220812  0.570229  1
  Al  Al46  1  0.523109  0.856691  0.592436  1
  Al  Al47  1  0.856442  0.523357  0.592436  1
  Al  Al48  1  0.825901  0.826145  0.614662  1
  Al  Al49  1  0.189775  0.190024  0.592436  1
  Al  Al50  1  0.159234  0.492811  0.614662  1
  Al  Al51  1  0.128662  0.795572  0.636911  1
  Al  Al52  1  0.492568  0.159478  0.614662  1
  Al  Al53  1  0.461995  0.462238  0.636911  1
  Al  Al54  1  0.795328  0.128905  0.636911  1
  Al  Al55  1  0.431810  0.765380  0.658880  1
  Al  Al56  1  0.765143  0.432047  0.658880  1
  Al  Al57  1  0.735498  0.735727  0.680796  1
  Al  Al58  1  0.098477  0.098714  0.658880  1
  Al  Al59  1  0.068831  0.402393  0.680796  1
  Al  Al60  1  0.035862  0.702763  0.701737  1
  Al  Al61  1  0.402164  0.069060  0.680796  1
  Al  Al62  1  0.369195  0.369430  0.701737  1
  Al  Al63  1  0.702528  0.036097  0.701737  1
  Ni  Ni64  1  0.087871  0.253766  0.304000  1
  Ni  Ni65  1  0.421204  0.920433  0.304000  1
  Ni  Ni66  1  0.390690  0.224494  0.325941  1
  Ni  Ni67  1  0.754538  0.587100  0.304000  1
  Ni  Ni68  1  0.724023  0.891161  0.325941  1
  Ni  Ni69  1  0.783285  0.284852  0.280379  1
  Ni  Ni70  1  0.057357  0.557828  0.325941  1
  Ni  Ni71  1  0.116618  0.951519  0.280379  1
  Ni  Ni72  1  0.449952  0.618185  0.280379  1
  Ni  Ni73  1  0.123090  0.456740  0.281125  1
  Ni  Ni74  1  0.456423  0.123407  0.281125  1
  Ni  Ni75  1  0.419439  0.419725  0.302135  1
  Ni  Ni76  1  0.789756  0.790074  0.281125  1
  Ni  Ni77  1  0.752772  0.086392  0.302135  1
  Ni  Ni78  1  0.724041  0.391005  0.325530  1
  Ni  Ni79  1  0.086106  0.753059  0.302135  1
  Ni  Ni80  1  0.057375  0.057671  0.325530  1
  Ni  Ni81  1  0.390708  0.724338  0.325530  1
  Ni  Ni82  1  0.920130  0.421510  0.304002  1
  Ni  Ni83  1  0.253463  0.088177  0.304002  1
  Ni  Ni84  1  0.224199  0.390983  0.325940  1
  Ni  Ni85  1  0.586796  0.754843  0.304002  1
  Ni  Ni86  1  0.557532  0.057650  0.325940  1
  Ni  Ni87  1  0.617883  0.450252  0.280378  1
  Ni  Ni88  1  0.890865  0.724317  0.325940  1
  Ni  Ni89  1  0.951217  0.116919  0.280378  1
  Ni  Ni90  1  0.284550  0.783586  0.280378  1
  Ni  Ni91  1  0.996333  0.163340  0.369925  1
  Ni  Ni92  1  0.329667  0.830007  0.369925  1
  Ni  Ni93  1  0.299224  0.132740  0.392337  1
  Ni  Ni94  1  0.663000  0.496674  0.369925  1
  Ni  Ni95  1  0.632557  0.799407  0.392337  1
  Ni  Ni96  1  0.694108  0.193470  0.347719  1
  Ni  Ni97  1  0.965890  0.466073  0.392337  1
  Ni  Ni98  1  0.027441  0.860137  0.347719  1
  Ni  Ni99  1  0.360774  0.526803  0.347719  1
  Ni  Ni100  1  0.026799  0.360424  0.347962  1
  Ni  Ni101  1  0.360132  0.027091  0.347962  1
  Ni  Ni102  1  0.329892  0.330179  0.370232  1
  Ni  Ni103  1  0.693465  0.693758  0.347962  1
  Ni  Ni104  1  0.663226  0.996845  0.370232  1
  Ni  Ni105  1  0.632492  0.299440  0.392214  1
  Ni  Ni106  1  0.996559  0.663512  0.370232  1
  Ni  Ni107  1  0.965825  0.966107  0.392214  1
  Ni  Ni108  1  0.299159  0.632774  0.392214  1
  Ni  Ni109  1  0.829719  0.329955  0.369925  1
  Ni  Ni110  1  0.163053  0.996621  0.369925  1
  Ni  Ni111  1  0.132456  0.299508  0.392337  1
  Ni  Ni112  1  0.496386  0.663288  0.369925  1
  Ni  Ni113  1  0.465790  0.966175  0.392337  1
  Ni  Ni114  1  0.526516  0.361062  0.347720  1
  Ni  Ni115  1  0.799123  0.632841  0.392337  1
  Ni  Ni116  1  0.859849  0.027728  0.347720  1
  Ni  Ni117  1  0.193183  0.694395  0.347720  1
  Ni  Ni118  1  0.904542  0.071463  0.436743  1
  Ni  Ni119  1  0.237876  0.738130  0.436743  1
  Ni  Ni120  1  0.207160  0.040777  0.458967  1
  Ni  Ni121  1  0.571209  0.404797  0.436743  1
  Ni  Ni122  1  0.540493  0.707444  0.458967  1
  Ni  Ni123  1  0.601863  0.102228  0.414572  1
  Ni  Ni124  1  0.873826  0.374110  0.458967  1
  Ni  Ni125  1  0.935197  0.768895  0.414572  1
  Ni  Ni126  1  0.268530  0.435562  0.414572  1
  Ni  Ni127  1  0.935107  0.268720  0.414467  1
  Ni  Ni128  1  0.268441  0.935387  0.414467  1
  Ni  Ni129  1  0.237861  0.238137  0.436775  1
  Ni  Ni130  1  0.601774  0.602054  0.414467  1
  Ni  Ni131  1  0.571194  0.904803  0.436775  1
  Ni  Ni132  1  0.540560  0.207498  0.459030  1
  Ni  Ni133  1  0.904528  0.571470  0.436775  1
  Ni  Ni134  1  0.873894  0.874165  0.459030  1
  Ni  Ni135  1  0.207227  0.540832  0.459030  1
  Ni  Ni136  1  0.737855  0.238151  0.436743  1
  Ni  Ni137  1  0.071188  0.904817  0.436743  1
  Ni  Ni138  1  0.040505  0.207431  0.458966  1
  Ni  Ni139  1  0.404521  0.571484  0.436743  1
  Ni  Ni140  1  0.373839  0.874098  0.458966  1
  Ni  Ni141  1  0.435283  0.268809  0.414572  1
  Ni  Ni142  1  0.707172  0.540765  0.458966  1
  Ni  Ni143  1  0.768616  0.935475  0.414572  1
  Ni  Ni144  1  0.101950  0.602142  0.414572  1
  Ni  Ni145  1  0.812545  0.979472  0.503494  1
  Ni  Ni146  1  0.145878  0.646139  0.503494  1
  Ni  Ni147  1  0.115197  0.948803  0.525736  1
  Ni  Ni148  1  0.479212  0.312806  0.503494  1
  Ni  Ni149  1  0.448531  0.615470  0.525736  1
  Ni  Ni150  1  0.509854  0.010120  0.481245  1
  Ni  Ni151  1  0.781864  0.282137  0.525736  1
  Ni  Ni152  1  0.843187  0.676786  0.481245  1
  Ni  Ni153  1  0.176520  0.343453  0.481245  1
  Ni  Ni154  1  0.843204  0.176805  0.481239  1
  Ni  Ni155  1  0.176538  0.843472  0.481239  1
  Ni  Ni156  1  0.145832  0.146096  0.503457  1
  Ni  Ni157  1  0.509871  0.510139  0.481239  1
  Ni  Ni158  1  0.479165  0.812762  0.503457  1
  Ni  Ni159  1  0.448525  0.115452  0.525721  1
  Ni  Ni160  1  0.812498  0.479429  0.503457  1
  Ni  Ni161  1  0.781859  0.782119  0.525721  1
  Ni  Ni162  1  0.115192  0.448785  0.525721  1
  Ni  Ni163  1  0.645875  0.146142  0.503494  1
  Ni  Ni164  1  0.979209  0.812809  0.503494  1
  Ni  Ni165  1  0.948543  0.115458  0.525736  1
  Ni  Ni166  1  0.312542  0.479475  0.503494  1
  Ni  Ni167  1  0.281876  0.782124  0.525736  1
  Ni  Ni168  1  0.343185  0.176788  0.481245  1
  Ni  Ni169  1  0.615210  0.448791  0.525736  1
  Ni  Ni170  1  0.676518  0.843455  0.481245  1
  Ni  Ni171  1  0.009852  0.510121  0.481245  1
  Ni  Ni172  1  0.720506  0.887452  0.570195  1
  Ni  Ni173  1  0.053840  0.554119  0.570195  1
  Ni  Ni174  1  0.023287  0.856771  0.592426  1
  Ni  Ni175  1  0.387173  0.220785  0.570195  1
  Ni  Ni176  1  0.356620  0.523438  0.592426  1
  Ni  Ni177  1  0.417866  0.918082  0.547936  1
  Ni  Ni178  1  0.689953  0.190104  0.592426  1
  Ni  Ni179  1  0.751199  0.584748  0.547936  1
  Ni  Ni180  1  0.084532  0.251415  0.547936  1
  Ni  Ni181  1  0.751204  0.084793  0.547961  1
  Ni  Ni182  1  0.084537  0.751460  0.547961  1
  Ni  Ni183  1  0.053906  0.054159  0.570257  1
  Ni  Ni184  1  0.417870  0.418127  0.547961  1
  Ni  Ni185  1  0.387239  0.720825  0.570257  1
  Ni  Ni186  1  0.356504  0.023418  0.592364  1
  Ni  Ni187  1  0.720572  0.387492  0.570257  1
  Ni  Ni188  1  0.689837  0.690085  0.592364  1
  Ni  Ni189  1  0.023171  0.356752  0.592364  1
  Ni  Ni190  1  0.553867  0.054092  0.570195  1
  Ni  Ni191  1  0.887200  0.720758  0.570195  1
  Ni  Ni192  1  0.856522  0.023536  0.592426  1
  Ni  Ni193  1  0.220533  0.387425  0.570195  1
  Ni  Ni194  1  0.189855  0.690202  0.592426  1
  Ni  Ni195  1  0.251159  0.084788  0.547936  1
  Ni  Ni196  1  0.523189  0.356869  0.592426  1
  Ni  Ni197  1  0.584492  0.751455  0.547936  1
  Ni  Ni198  1  0.917825  0.418122  0.547936  1
  Ni  Ni199  1  0.628747  0.795532  0.636773  1
  Ni  Ni200  1  0.962080  0.462199  0.636773  1
  Ni  Ni201  1  0.930900  0.765618  0.659074  1
  Ni  Ni202  1  0.295413  0.128866  0.636773  1
  Ni  Ni203  1  0.264234  0.432285  0.659074  1
  Ni  Ni204  1  0.325712  0.826401  0.614786  1
  Ni  Ni205  1  0.597567  0.098951  0.659074  1
  Ni  Ni206  1  0.659045  0.493068  0.614786  1
  Ni  Ni207  1  0.992378  0.159734  0.614786  1
  Ni  Ni208  1  0.659340  0.992918  0.614657  1
  Ni  Ni209  1  0.992673  0.659585  0.614657  1
  Ni  Ni210  1  0.962041  0.962281  0.636716  1
  Ni  Ni211  1  0.326007  0.326251  0.614657  1
  Ni  Ni212  1  0.295374  0.628947  0.636716  1
  Ni  Ni213  1  0.265617  0.932524  0.659648  1
  Ni  Ni214  1  0.628707  0.295614  0.636716  1
  Ni  Ni215  1  0.598951  0.599190  0.659648  1
  Ni  Ni216  1  0.932284  0.265857  0.659648  1
  Ni  Ni217  1  0.461960  0.962320  0.636774  1
  Ni  Ni218  1  0.795293  0.628987  0.636774  1
  Ni  Ni219  1  0.765379  0.931137  0.659073  1
  Ni  Ni220  1  0.128626  0.295654  0.636774  1
  Ni  Ni221  1  0.098713  0.597803  0.659073  1
  Ni  Ni222  1  0.159489  0.992624  0.614785  1
  Ni  Ni223  1  0.432046  0.264470  0.659073  1
  Ni  Ni224  1  0.492822  0.659291  0.614785  1
  Ni  Ni225  1  0.826155  0.325957  0.614785  1
  Ni  Ni226  1  0.536083  0.704194  0.704495  1
  Ni  Ni227  1  0.869417  0.370861  0.704495  1
  Ni  Ni228  1  0.840994  0.674674  0.725475  1
  Ni  Ni229  1  0.202750  0.037528  0.704495  1
  Ni  Ni230  1  0.174327  0.341341  0.725475  1
  Ni  Ni231  1  0.235721  0.734552  0.681095  1
  Ni  Ni232  1  0.507660  0.008008  0.725475  1
  Ni  Ni233  1  0.569054  0.401218  0.681095  1
  Ni  Ni234  1  0.902387  0.067885  0.681095  1
  Ni  Ni235  1  0.566096  0.899657  0.681089  1
  Ni  Ni236  1  0.899429  0.566323  0.681089  1
  Ni  Ni237  1  0.874750  0.874989  0.705030  1
  Ni  Ni238  1  0.232762  0.232990  0.681089  1
  Ni  Ni239  1  0.208083  0.541655  0.705030  1
  Ni  Ni240  1  0.170108  0.836973  0.724713  1
  Ni  Ni241  1  0.541416  0.208322  0.705030  1
  Ni  Ni242  1  0.503442  0.503640  0.724713  1
  Ni  Ni243  1  0.836775  0.170307  0.724713  1
  Ni  Ni244  1  0.370636  0.869639  0.704494  1
  Ni  Ni245  1  0.703970  0.536306  0.704494  1
  Ni  Ni246  1  0.674452  0.841217  0.725475  1
  Ni  Ni247  1  0.037303  0.202973  0.704494  1
  Ni  Ni248  1  0.007786  0.507884  0.725475  1
  Ni  Ni249  1  0.067650  0.902626  0.681098  1
  Ni  Ni250  1  0.341119  0.174550  0.725475  1
  Ni  Ni251  1  0.400983  0.569293  0.681098  1
  Ni  Ni252  1  0.734317  0.235959  0.681098  1
