# generated using pymatgen
data_AlNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.04009586
_cell_length_b   20.60368147
_cell_length_c   55.43762094
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlNi3
_chemical_formula_sum   'Al60 Ni180'
_cell_volume   5756.89366868
_cell_formula_units_Z   60
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  1.049839  0.768975  0.302649  1
  Al  Al2  1  1.049839  0.544814  0.237529  1
  Al  Al3  1  1.049839  0.149690  0.256814  1
  Al  Al4  1  0.549839  0.649690  0.256814  1
  Al  Al5  1  0.549839  0.268975  0.302649  1
  Al  Al6  1  0.549839  0.044814  0.237529  1
  Al  Al7  1  0.549839  0.848773  0.247688  1
  Al  Al8  1  0.549839  0.455658  0.268127  1
  Al  Al9  1  0.549839  0.073855  0.313456  1
  Al  Al10  1  1.049839  0.573855  0.313456  1
  Al  Al11  1  1.049839  0.348773  0.247688  1
  Al  Al12  1  1.049839  0.955658  0.268127  1
  Al  Al13  1  1.049839  0.603982  0.389943  1
  Al  Al14  1  1.049839  0.377593  0.323634  1
  Al  Al15  1  1.049839  -0.013798  0.344446  1
  Al  Al16  1  0.549839  0.486202  0.344446  1
  Al  Al17  1  0.549839  0.103982  0.389943  1
  Al  Al18  1  0.549839  0.877593  0.323634  1
  Al  Al19  1  0.549839  0.681816  0.333683  1
  Al  Al20  1  0.549839  0.299526  0.379385  1
  Al  Al21  1  0.549839  0.907899  0.400100  1
  Al  Al22  1  1.049839  0.407899  0.400100  1
  Al  Al23  1  1.049839  0.181816  0.333683  1
  Al  Al24  1  1.049839  0.799526  0.379385  1
  Al  Al25  1  1.049839  0.438046  0.476657  1
  Al  Al26  1  1.049839  0.211942  0.410277  1
  Al  Al27  1  1.049839  0.829656  0.455990  1
  Al  Al28  1  0.549839  0.329656  0.455990  1
  Al  Al29  1  0.549839  0.938046  0.476657  1
  Al  Al30  1  0.549839  0.711942  0.410277  1
  Al  Al31  1  0.549839  0.516345  0.420802  1
  Al  Al32  1  0.549839  0.134071  0.466479  1
  Al  Al33  1  0.549839  0.742040  0.486842  1
  Al  Al34  1  1.049839  0.242040  0.486842  1
  Al  Al35  1  1.049839  0.016345  0.420802  1
  Al  Al36  1  1.049839  0.634071  0.466479  1
  Al  Al37  1  1.049839  0.272126  0.563417  1
  Al  Al38  1  1.049839  0.046428  0.497301  1
  Al  Al39  1  1.049839  0.664163  0.543057  1
  Al  Al40  1  0.549839  0.164163  0.543057  1
  Al  Al41  1  0.549839  0.772126  0.563417  1
  Al  Al42  1  0.549839  0.546428  0.497301  1
  Al  Al43  1  0.549839  0.359734  0.532480  1
  Al  Al44  1  0.549839  0.968160  0.553250  1
  Al  Al45  1  0.549839  0.576529  0.573878  1
  Al  Al46  1  1.049839  0.076529  0.573878  1
  Al  Al47  1  1.049839  0.859734  0.532480  1
  Al  Al48  1  1.049839  0.468160  0.553250  1
  Al  Al49  1  1.049839  0.106966  0.650132  1
  Al  Al50  1  1.049839  0.889670  0.608817  1
  Al  Al51  1  1.049839  0.498369  0.629826  1
  Al  Al52  1  0.549839  -0.001631  0.629826  1
  Al  Al53  1  0.549839  0.606966  0.650132  1
  Al  Al54  1  0.549839  0.389670  0.608817  1
  Al  Al55  1  0.549839  0.194368  0.619852  1
  Al  Al56  1  0.549839  0.802602  0.639710  1
  Al  Al57  1  0.549839  0.419342  0.684159  1
  Al  Al58  1  1.049839  0.919342  0.684159  1
  Al  Al59  1  1.049839  0.694368  0.619852  1
  Al  Al60  1  1.049839  0.302602  0.639710  1
  Ni  Ni61  1  0.300411  0.471031  0.306639  1
  Ni  Ni62  1  0.298520  0.253704  0.263721  1
  Ni  Ni63  1  0.299035  0.862515  0.285572  1
  Ni  Ni64  1  0.549839  0.769642  0.302337  1
  Ni  Ni65  1  0.549839  0.543824  0.236416  1
  Ni  Ni66  1  0.549839  0.152063  0.257426  1
  Ni  Ni67  1  0.299794  0.558009  0.275233  1
  Ni  Ni68  1  0.298878  0.166686  0.295722  1
  Ni  Ni69  1  0.300902  0.941383  0.229649  1
  Ni  Ni70  1  0.798520  0.753704  0.263721  1
  Ni  Ni71  1  0.799035  0.362515  0.285572  1
  Ni  Ni72  1  0.800411  0.971031  0.306639  1
  Ni  Ni73  1  1.049839  0.652063  0.257426  1
  Ni  Ni74  1  1.049839  0.269642  0.302337  1
  Ni  Ni75  1  1.049839  0.043824  0.236416  1
  Ni  Ni76  1  0.798878  0.666686  0.295722  1
  Ni  Ni77  1  0.800902  0.441383  0.229649  1
  Ni  Ni78  1  0.799794  0.058009  0.275233  1
  Ni  Ni79  1  0.799884  0.558009  0.275233  1
  Ni  Ni80  1  0.800800  0.166686  0.295722  1
  Ni  Ni81  1  0.798777  0.941383  0.229649  1
  Ni  Ni82  1  1.049839  0.847065  0.246947  1
  Ni  Ni83  1  1.049839  0.455680  0.268731  1
  Ni  Ni84  1  1.049839  0.073794  0.313198  1
  Ni  Ni85  1  0.799268  0.471031  0.306639  1
  Ni  Ni86  1  0.801158  0.253704  0.263721  1
  Ni  Ni87  1  0.800643  0.862515  0.285572  1
  Ni  Ni88  1  0.300800  0.666686  0.295722  1
  Ni  Ni89  1  0.298777  0.441383  0.229649  1
  Ni  Ni90  1  0.299884  0.058009  0.275233  1
  Ni  Ni91  1  0.549839  0.573794  0.313198  1
  Ni  Ni92  1  0.549839  0.347065  0.246947  1
  Ni  Ni93  1  0.549839  0.955680  0.268731  1
  Ni  Ni94  1  0.301158  0.753704  0.263721  1
  Ni  Ni95  1  0.300643  0.362515  0.285572  1
  Ni  Ni96  1  0.299268  0.971031  0.306639  1
  Ni  Ni97  1  0.300085  0.314537  0.417387  1
  Ni  Ni98  1  0.300474  0.088783  0.351429  1
  Ni  Ni99  1  0.300388  0.697030  0.372265  1
  Ni  Ni100  1  0.549839  0.603968  0.389605  1
  Ni  Ni101  1  0.549839  0.377546  0.323692  1
  Ni  Ni102  1  0.549839  -0.014213  0.344809  1
  Ni  Ni103  1  0.299765  0.392790  0.361862  1
  Ni  Ni104  1  0.299604  0.001342  0.382905  1
  Ni  Ni105  1  0.299593  0.784288  0.340748  1
  Ni  Ni106  1  0.800474  0.588783  0.351429  1
  Ni  Ni107  1  0.800388  0.197030  0.372265  1
  Ni  Ni108  1  0.800085  0.814537  0.417387  1
  Ni  Ni109  1  1.049839  0.485787  0.344809  1
  Ni  Ni110  1  1.049839  0.103968  0.389605  1
  Ni  Ni111  1  1.049839  0.877546  0.323692  1
  Ni  Ni112  1  0.799604  0.501342  0.382905  1
  Ni  Ni113  1  0.799593  0.284288  0.340748  1
  Ni  Ni114  1  0.799765  0.892790  0.361862  1
  Ni  Ni115  1  0.799913  0.392790  0.361862  1
  Ni  Ni116  1  0.800074  0.001342  0.382905  1
  Ni  Ni117  1  0.800086  0.784288  0.340748  1
  Ni  Ni118  1  1.049839  0.681800  0.334034  1
  Ni  Ni119  1  1.049839  0.299917  0.379000  1
  Ni  Ni120  1  1.049839  0.907904  0.400113  1
  Ni  Ni121  1  0.799594  0.314537  0.417387  1
  Ni  Ni122  1  0.799205  0.088783  0.351429  1
  Ni  Ni123  1  0.799291  0.697030  0.372265  1
  Ni  Ni124  1  0.300074  0.501342  0.382905  1
  Ni  Ni125  1  0.300086  0.284288  0.340748  1
  Ni  Ni126  1  0.299913  0.892790  0.361862  1
  Ni  Ni127  1  0.549839  0.407904  0.400113  1
  Ni  Ni128  1  0.549839  0.181800  0.334034  1
  Ni  Ni129  1  0.549839  0.799917  0.379000  1
  Ni  Ni130  1  0.299205  0.588783  0.351429  1
  Ni  Ni131  1  0.299291  0.197030  0.372265  1
  Ni  Ni132  1  0.299594  0.814537  0.417387  1
  Ni  Ni133  1  0.300374  0.148974  0.504483  1
  Ni  Ni134  1  0.299862  0.922978  0.438377  1
  Ni  Ni135  1  0.300093  0.531442  0.459355  1
  Ni  Ni136  1  0.549839  0.438045  0.476656  1
  Ni  Ni137  1  0.549839  0.211970  0.410617  1
  Ni  Ni138  1  0.549839  0.830095  0.455586  1
  Ni  Ni139  1  0.299291  0.227140  0.448843  1
  Ni  Ni140  1  0.299597  0.844646  0.493939  1
  Ni  Ni141  1  0.299265  0.618886  0.427924  1
  Ni  Ni142  1  0.799862  0.422978  0.438377  1
  Ni  Ni143  1  0.800093  0.031442  0.459355  1
  Ni  Ni144  1  0.800374  0.648974  0.504483  1
  Ni  Ni145  1  1.049839  0.330095  0.455586  1
  Ni  Ni146  1  1.049839  0.938045  0.476656  1
  Ni  Ni147  1  1.049839  0.711970  0.410617  1
  Ni  Ni148  1  0.799597  0.344646  0.493939  1
  Ni  Ni149  1  0.799265  0.118886  0.427924  1
  Ni  Ni150  1  0.799291  0.727140  0.448843  1
  Ni  Ni151  1  0.800387  0.227140  0.448843  1
  Ni  Ni152  1  0.800081  0.844646  0.493939  1
  Ni  Ni153  1  0.800414  0.618886  0.427924  1
  Ni  Ni154  1  1.049839  0.515897  0.421203  1
  Ni  Ni155  1  1.049839  0.134055  0.466134  1
  Ni  Ni156  1  1.049839  0.742050  0.487190  1
  Ni  Ni157  1  0.799305  0.148974  0.504483  1
  Ni  Ni158  1  0.799817  0.922978  0.438377  1
  Ni  Ni159  1  0.799586  0.531442  0.459355  1
  Ni  Ni160  1  0.300081  0.344646  0.493939  1
  Ni  Ni161  1  0.300414  0.118886  0.427924  1
  Ni  Ni162  1  0.300387  0.727140  0.448843  1
  Ni  Ni163  1  0.549839  0.242050  0.487190  1
  Ni  Ni164  1  0.549839  0.015897  0.421203  1
  Ni  Ni165  1  0.549839  0.634055  0.466134  1
  Ni  Ni166  1  0.299817  0.422978  0.438377  1
  Ni  Ni167  1  0.299586  0.031442  0.459355  1
  Ni  Ni168  1  0.299305  0.648974  0.504483  1
  Ni  Ni169  1  0.299879  0.983260  0.591499  1
  Ni  Ni170  1  0.300444  0.757216  0.525403  1
  Ni  Ni171  1  0.300251  0.374708  0.570348  1
  Ni  Ni172  1  0.549839  0.272112  0.563722  1
  Ni  Ni173  1  0.549839  0.046000  0.497704  1
  Ni  Ni174  1  0.549839  0.664151  0.542729  1
  Ni  Ni175  1  0.299581  0.061543  0.535889  1
  Ni  Ni176  1  0.299059  0.679103  0.581106  1
  Ni  Ni177  1  0.299785  0.453112  0.514939  1
  Ni  Ni178  1  0.800444  0.257216  0.525403  1
  Ni  Ni179  1  0.800251  0.874708  0.570348  1
  Ni  Ni180  1  0.799879  0.483260  0.591499  1
  Ni  Ni181  1  1.049839  0.164151  0.542729  1
  Ni  Ni182  1  1.049839  0.772112  0.563722  1
  Ni  Ni183  1  1.049839  0.546000  0.497704  1
  Ni  Ni184  1  0.799059  0.179103  0.581106  1
  Ni  Ni185  1  0.799785  0.953112  0.514939  1
  Ni  Ni186  1  0.799581  0.561543  0.535889  1
  Ni  Ni187  1  0.800098  0.061543  0.535889  1
  Ni  Ni188  1  0.800619  0.679103  0.581106  1
  Ni  Ni189  1  0.799894  0.453112  0.514939  1
  Ni  Ni190  1  1.049839  0.360179  0.532086  1
  Ni  Ni191  1  1.049839  0.968203  0.553204  1
  Ni  Ni192  1  1.049839  0.576122  0.574250  1
  Ni  Ni193  1  0.799800  0.983260  0.591499  1
  Ni  Ni194  1  0.799235  0.757216  0.525403  1
  Ni  Ni195  1  0.799427  0.374708  0.570348  1
  Ni  Ni196  1  0.300619  0.179103  0.581106  1
  Ni  Ni197  1  0.299894  0.953112  0.514939  1
  Ni  Ni198  1  0.300098  0.561543  0.535889  1
  Ni  Ni199  1  0.549839  0.076122  0.574250  1
  Ni  Ni200  1  0.549839  0.860179  0.532086  1
  Ni  Ni201  1  0.549839  0.468203  0.553204  1
  Ni  Ni202  1  0.299235  0.257216  0.525403  1
  Ni  Ni203  1  0.299427  0.874708  0.570348  1
  Ni  Ni204  1  0.299800  0.483260  0.591499  1
  Ni  Ni205  1  0.300955  0.816187  0.678565  1
  Ni  Ni206  1  0.299829  0.591719  0.612433  1
  Ni  Ni207  1  0.298816  0.208768  0.658518  1
  Ni  Ni208  1  0.549839  0.106617  0.650956  1
  Ni  Ni209  1  0.549839  0.890317  0.608295  1
  Ni  Ni210  1  0.549839  0.498139  0.629621  1
  Ni  Ni211  1  0.300028  0.904785  0.646262  1
  Ni  Ni212  1  0.300973  0.514701  0.668326  1
  Ni  Ni213  1  0.299577  0.287345  0.601930  1
  Ni  Ni214  1  0.799829  0.091719  0.612433  1
  Ni  Ni215  1  0.798816  0.708768  0.658518  1
  Ni  Ni216  1  0.800955  0.316187  0.678565  1
  Ni  Ni217  1  1.049839  -0.001861  0.629621  1
  Ni  Ni218  1  1.049839  0.606617  0.650956  1
  Ni  Ni219  1  0.049839  0.390317  0.608295  1
  Ni  Ni220  1  0.800973  0.014701  0.668326  1
  Ni  Ni221  1  0.799577  0.787345  0.601930  1
  Ni  Ni222  1  0.800028  0.404785  0.646262  1
  Ni  Ni223  1  0.799650  0.904785  0.646262  1
  Ni  Ni224  1  0.798705  0.514701  0.668326  1
  Ni  Ni225  1  0.800101  0.287345  0.601930  1
  Ni  Ni226  1  1.049839  0.194683  0.619262  1
  Ni  Ni227  1  1.049839  0.802064  0.640176  1
  Ni  Ni228  1  1.049839  0.419881  0.684051  1
  Ni  Ni229  1  0.798723  0.816187  0.678565  1
  Ni  Ni230  1  0.799849  0.591719  0.612433  1
  Ni  Ni231  1  0.800863  0.208768  0.658518  1
  Ni  Ni232  1  0.298705  0.014701  0.668326  1
  Ni  Ni233  1  0.300101  0.787345  0.601930  1
  Ni  Ni234  1  0.299650  0.404785  0.646262  1
  Ni  Ni235  1  0.549839  0.919881  0.684051  1
  Ni  Ni236  1  0.549839  0.694683  0.619262  1
  Ni  Ni237  1  0.549839  0.302064  0.640176  1
  Ni  Ni238  1  0.299849  0.091719  0.612433  1
  Ni  Ni239  1  0.300863  0.708768  0.658518  1
  Ni  Ni240  1  0.298723  0.316187  0.678565  1
