# generated using pymatgen
data_AlNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.97461404
_cell_length_b   12.69641823
_cell_length_c   47.53581216
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   66.90653073
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlNi3
_chemical_formula_sum   'Al54 Ni162'
_cell_volume   5537.61686454
_cell_formula_units_Z   54
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  0.185504  0.088336  0.305772  1
  Al  Al2  1  0.685504  0.088336  0.305772  1
  Al  Al3  1  0.251424  0.456595  0.291013  1
  Al  Al4  1  0.120031  0.719386  0.320758  1
  Al  Al5  1  0.751424  0.456595  0.291013  1
  Al  Al6  1  0.620031  0.719386  0.320758  1
  Al  Al7  1  0.982292  0.994996  0.352078  1
  Al  Al8  1  0.482292  0.994996  0.352078  1
  Al  Al9  1  0.050284  0.358943  0.336899  1
  Al  Al10  1  0.913515  0.632618  0.368468  1
  Al  Al11  1  0.550284  0.358943  0.336899  1
  Al  Al12  1  0.413515  0.632618  0.368468  1
  Al  Al13  1  0.778150  0.903500  0.399587  1
  Al  Al14  1  0.278150  0.903500  0.399587  1
  Al  Al15  1  0.846086  0.267550  0.384217  1
  Al  Al16  1  0.709703  0.540454  0.416071  1
  Al  Al17  1  0.346086  0.267550  0.384217  1
  Al  Al18  1  0.209703  0.540454  0.416071  1
  Al  Al19  1  0.573531  0.812924  0.447516  1
  Al  Al20  1  0.073531  0.812924  0.447516  1
  Al  Al21  1  0.641842  0.176251  0.431685  1
  Al  Al22  1  0.505514  0.449036  0.463516  1
  Al  Al23  1  0.141842  0.176251  0.431685  1
  Al  Al24  1  0.005514  0.449036  0.463516  1
  Al  Al25  1  0.369343  0.721502  0.495149  1
  Al  Al26  1  0.869343  0.721502  0.495149  1
  Al  Al27  1  0.437455  0.085215  0.479288  1
  Al  Al28  1  0.301253  0.357757  0.511176  1
  Al  Al29  1  0.937455  0.085215  0.479288  1
  Al  Al30  1  0.801253  0.357757  0.511176  1
  Al  Al31  1  0.165243  0.629910  0.542670  1
  Al  Al32  1  0.665243  0.629910  0.542670  1
  Al  Al33  1  0.233080  0.994154  0.526924  1
  Al  Al34  1  0.096706  0.267036  0.558979  1
  Al  Al35  1  0.733080  0.994154  0.526924  1
  Al  Al36  1  0.596706  0.267036  0.558979  1
  Al  Al37  1  0.961079  0.538446  0.590436  1
  Al  Al38  1  0.461079  0.538446  0.590436  1
  Al  Al39  1  0.028845  0.902823  0.574348  1
  Al  Al40  1  0.892349  0.175957  0.606510  1
  Al  Al41  1  0.528845  0.902823  0.574348  1
  Al  Al42  1  0.392349  0.175957  0.606510  1
  Al  Al43  1  0.756064  0.448655  0.638852  1
  Al  Al44  1  0.256064  0.448655  0.638852  1
  Al  Al45  1  0.824865  0.811013  0.621620  1
  Al  Al46  1  0.688700  0.083494  0.654035  1
  Al  Al47  1  0.324865  0.811013  0.621620  1
  Al  Al48  1  0.188700  0.083494  0.654035  1
  Al  Al49  1  0.551984  0.357091  0.685052  1
  Al  Al50  1  0.051984  0.357091  0.685052  1
  Al  Al51  1  0.619954  0.721040  0.667676  1
  Al  Al52  1  0.486700  0.987667  0.700006  1
  Al  Al53  1  0.119954  0.721040  0.667676  1
  Al  Al54  1  0.986700  0.987667  0.700006  1
  Ni  Ni55  1  0.436232  0.086896  0.303834  1
  Ni  Ni56  1  0.936232  0.086896  0.303834  1
  Ni  Ni57  1  0.501532  0.456393  0.289133  1
  Ni  Ni58  1  0.369637  0.720187  0.318913  1
  Ni  Ni59  1  0.001532  0.456393  0.289133  1
  Ni  Ni60  1  0.869637  0.720187  0.318913  1
  Ni  Ni61  1  0.469534  0.271057  0.296225  1
  Ni  Ni62  1  0.969534  0.271057  0.296225  1
  Ni  Ni63  1  0.334785  0.541508  0.329415  1
  Ni  Ni64  1  0.403440  0.903417  0.311538  1
  Ni  Ni65  1  0.834785  0.541508  0.329415  1
  Ni  Ni66  1  0.903440  0.903417  0.311538  1
  Ni  Ni67  1  0.218796  0.271053  0.296226  1
  Ni  Ni68  1  0.718796  0.271053  0.296226  1
  Ni  Ni69  1  0.083200  0.541499  0.329417  1
  Ni  Ni70  1  0.152541  0.903405  0.311540  1
  Ni  Ni71  1  0.583200  0.541499  0.329417  1
  Ni  Ni72  1  0.652541  0.903405  0.311540  1
  Ni  Ni73  1  0.232674  0.994230  0.352128  1
  Ni  Ni74  1  0.732674  0.994230  0.352128  1
  Ni  Ni75  1  0.300665  0.358185  0.337017  1
  Ni  Ni76  1  0.163859  0.631924  0.368840  1
  Ni  Ni77  1  0.800665  0.358185  0.337017  1
  Ni  Ni78  1  0.663859  0.631924  0.368840  1
  Ni  Ni79  1  0.266609  0.177357  0.344441  1
  Ni  Ni80  1  0.766609  0.177357  0.344441  1
  Ni  Ni81  1  0.129825  0.449815  0.376467  1
  Ni  Ni82  1  0.198796  0.812654  0.359693  1
  Ni  Ni83  1  0.629825  0.449815  0.376467  1
  Ni  Ni84  1  0.698796  0.812654  0.359693  1
  Ni  Ni85  1  0.015562  0.177360  0.344442  1
  Ni  Ni86  1  0.515562  0.177360  0.344442  1
  Ni  Ni87  1  0.880051  0.449820  0.376466  1
  Ni  Ni88  1  0.948175  0.812663  0.359693  1
  Ni  Ni89  1  0.380051  0.449820  0.376466  1
  Ni  Ni90  1  0.448175  0.812663  0.359693  1
  Ni  Ni91  1  0.028092  0.903622  0.399567  1
  Ni  Ni92  1  0.528092  0.903622  0.399567  1
  Ni  Ni93  1  0.096084  0.267558  0.384186  1
  Ni  Ni94  1  0.959628  0.540606  0.415980  1
  Ni  Ni95  1  0.596084  0.267558  0.384186  1
  Ni  Ni96  1  0.459628  0.540606  0.415980  1
  Ni  Ni97  1  0.062149  0.085479  0.391883  1
  Ni  Ni98  1  0.562149  0.085479  0.391883  1
  Ni  Ni99  1  0.925818  0.358322  0.423894  1
  Ni  Ni100  1  0.993466  0.722709  0.407955  1
  Ni  Ni101  1  0.425818  0.358322  0.423894  1
  Ni  Ni102  1  0.493466  0.722709  0.407955  1
  Ni  Ni103  1  0.812138  0.085478  0.391882  1
  Ni  Ni104  1  0.312138  0.085478  0.391882  1
  Ni  Ni105  1  0.675757  0.358320  0.423895  1
  Ni  Ni106  1  0.743645  0.722707  0.407955  1
  Ni  Ni107  1  0.175757  0.358320  0.423895  1
  Ni  Ni108  1  0.243645  0.722707  0.407955  1
  Ni  Ni109  1  0.823528  0.812930  0.447548  1
  Ni  Ni110  1  0.323528  0.812930  0.447548  1
  Ni  Ni111  1  0.891839  0.176256  0.431688  1
  Ni  Ni112  1  0.755556  0.448952  0.463536  1
  Ni  Ni113  1  0.391839  0.176256  0.431688  1
  Ni  Ni114  1  0.255556  0.448952  0.463536  1
  Ni  Ni115  1  0.857822  0.994313  0.439460  1
  Ni  Ni116  1  0.357822  0.994313  0.439460  1
  Ni  Ni117  1  0.721520  0.267059  0.471450  1
  Ni  Ni118  1  0.789491  0.631061  0.455568  1
  Ni  Ni119  1  0.221520  0.267059  0.471450  1
  Ni  Ni120  1  0.289491  0.631061  0.455568  1
  Ni  Ni121  1  0.607830  0.994313  0.439460  1
  Ni  Ni122  1  0.107830  0.994313  0.439460  1
  Ni  Ni123  1  0.471519  0.267059  0.471449  1
  Ni  Ni124  1  0.539472  0.631061  0.455568  1
  Ni  Ni125  1  0.971519  0.267059  0.471449  1
  Ni  Ni126  1  0.039472  0.631061  0.455568  1
  Ni  Ni127  1  0.619327  0.721534  0.495145  1
  Ni  Ni128  1  0.119327  0.721534  0.495145  1
  Ni  Ni129  1  0.687453  0.085219  0.479292  1
  Ni  Ni130  1  0.551264  0.357735  0.511157  1
  Ni  Ni131  1  0.187453  0.085219  0.479292  1
  Ni  Ni132  1  0.051264  0.357735  0.511157  1
  Ni  Ni133  1  0.653328  0.903474  0.487193  1
  Ni  Ni134  1  0.153328  0.903474  0.487193  1
  Ni  Ni135  1  0.517092  0.176123  0.519112  1
  Ni  Ni136  1  0.585374  0.539483  0.503130  1
  Ni  Ni137  1  0.017092  0.176123  0.519112  1
  Ni  Ni138  1  0.085374  0.539483  0.503130  1
  Ni  Ni139  1  0.403350  0.903474  0.487193  1
  Ni  Ni140  1  0.903350  0.903474  0.487193  1
  Ni  Ni141  1  0.267071  0.176123  0.519112  1
  Ni  Ni142  1  0.335373  0.539483  0.503130  1
  Ni  Ni143  1  0.767071  0.176123  0.519112  1
  Ni  Ni144  1  0.835373  0.539483  0.503130  1
  Ni  Ni145  1  0.415240  0.629917  0.542679  1
  Ni  Ni146  1  0.915240  0.629917  0.542679  1
  Ni  Ni147  1  0.483051  0.994212  0.526915  1
  Ni  Ni148  1  0.346747  0.266954  0.558963  1
  Ni  Ni149  1  0.983051  0.994212  0.526915  1
  Ni  Ni150  1  0.846747  0.266954  0.558963  1
  Ni  Ni151  1  0.449123  0.812073  0.534745  1
  Ni  Ni152  1  0.949123  0.812073  0.534745  1
  Ni  Ni153  1  0.312673  0.085060  0.566680  1
  Ni  Ni154  1  0.381119  0.448241  0.550845  1
  Ni  Ni155  1  0.812673  0.085060  0.566680  1
  Ni  Ni156  1  0.881119  0.448241  0.550845  1
  Ni  Ni157  1  0.199156  0.812073  0.534745  1
  Ni  Ni158  1  0.699156  0.812073  0.534745  1
  Ni  Ni159  1  0.062747  0.085061  0.566680  1
  Ni  Ni160  1  0.131071  0.448241  0.550845  1
  Ni  Ni161  1  0.562747  0.085061  0.566680  1
  Ni  Ni162  1  0.631071  0.448241  0.550845  1
  Ni  Ni163  1  0.211063  0.538475  0.590386  1
  Ni  Ni164  1  0.711063  0.538475  0.590386  1
  Ni  Ni165  1  0.278896  0.902718  0.574423  1
  Ni  Ni166  1  0.142417  0.175820  0.606560  1
  Ni  Ni167  1  0.778896  0.902718  0.574423  1
  Ni  Ni168  1  0.642417  0.175820  0.606560  1
  Ni  Ni169  1  0.245246  0.720194  0.582178  1
  Ni  Ni170  1  0.745246  0.720194  0.582178  1
  Ni  Ni171  1  0.108515  0.993821  0.614087  1
  Ni  Ni172  1  0.176378  0.357911  0.598883  1
  Ni  Ni173  1  0.608515  0.993821  0.614087  1
  Ni  Ni174  1  0.676378  0.357911  0.598883  1
  Ni  Ni175  1  0.995122  0.720195  0.582179  1
  Ni  Ni176  1  0.495122  0.720195  0.582179  1
  Ni  Ni177  1  0.858355  0.993818  0.614089  1
  Ni  Ni178  1  0.926323  0.357910  0.598884  1
  Ni  Ni179  1  0.358355  0.993818  0.614089  1
  Ni  Ni180  1  0.426323  0.357910  0.598884  1
  Ni  Ni181  1  0.005786  0.449208  0.638786  1
  Ni  Ni182  1  0.505786  0.449208  0.638786  1
  Ni  Ni183  1  0.074620  0.811499  0.621447  1
  Ni  Ni184  1  0.938251  0.084388  0.653858  1
  Ni  Ni185  1  0.574620  0.811499  0.621447  1
  Ni  Ni186  1  0.438251  0.084388  0.653858  1
  Ni  Ni187  1  0.041202  0.628171  0.629751  1
  Ni  Ni188  1  0.541202  0.628171  0.629751  1
  Ni  Ni189  1  0.903886  0.901630  0.661212  1
  Ni  Ni190  1  0.972058  0.265821  0.646385  1
  Ni  Ni191  1  0.403886  0.901630  0.661212  1
  Ni  Ni192  1  0.472058  0.265821  0.646385  1
  Ni  Ni193  1  0.791410  0.628167  0.629751  1
  Ni  Ni194  1  0.291410  0.628167  0.629751  1
  Ni  Ni195  1  0.655410  0.901634  0.661210  1
  Ni  Ni196  1  0.722977  0.265817  0.646384  1
  Ni  Ni197  1  0.155410  0.901634  0.661210  1
  Ni  Ni198  1  0.222977  0.265817  0.646384  1
  Ni  Ni199  1  0.801579  0.357887  0.686882  1
  Ni  Ni200  1  0.301579  0.357887  0.686882  1
  Ni  Ni201  1  0.870438  0.720062  0.668642  1
  Ni  Ni202  1  0.736800  0.987452  0.702215  1
  Ni  Ni203  1  0.370438  0.720062  0.668642  1
  Ni  Ni204  1  0.236800  0.987452  0.702215  1
  Ni  Ni205  1  0.833410  0.543162  0.679663  1
  Ni  Ni206  1  0.333410  0.543162  0.679663  1
  Ni  Ni207  1  0.704492  0.800577  0.708390  1
  Ni  Ni208  1  0.768588  0.173077  0.694569  1
  Ni  Ni209  1  0.204492  0.800577  0.708390  1
  Ni  Ni210  1  0.268588  0.173077  0.694569  1
  Ni  Ni211  1  0.584384  0.543169  0.679661  1
  Ni  Ni212  1  0.084384  0.543169  0.679661  1
  Ni  Ni213  1  0.455892  0.800580  0.708390  1
  Ni  Ni214  1  0.519393  0.173084  0.694567  1
  Ni  Ni215  1  0.955892  0.800580  0.708390  1
  Ni  Ni216  1  0.019393  0.173084  0.694567  1
