# generated using pymatgen
data_Nb161Al54
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.37280402
_cell_length_b   15.35389249
_cell_length_c   15.37280402
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb161Al54
_chemical_formula_sum   'Nb161 Al54'
_cell_volume   3628.47952424
_cell_formula_units_Z   1
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
  Nb  Nb1  1  1.000175  0.251147  0.499305  1
  Nb  Nb2  1  1.000175  0.251147  0.834379  1
  Nb  Nb3  1  1.000175  0.577538  0.166842  1
  Nb  Nb4  1  1.000175  0.583719  0.499870  1
  Nb  Nb5  1  1.000175  0.583719  0.833813  1
  Nb  Nb6  1  1.000175  0.924044  0.166842  1
  Nb  Nb7  1  1.000175  0.916909  0.500076  1
  Nb  Nb8  1  1.000175  0.916909  0.833607  1
  Nb  Nb9  1  0.332638  0.250435  0.166842  1
  Nb  Nb10  1  0.333165  0.250791  0.499832  1
  Nb  Nb11  1  0.333165  0.250791  0.833852  1
  Nb  Nb12  1  0.333409  0.584673  0.166842  1
  Nb  Nb13  1  0.333303  0.584116  0.500114  1
  Nb  Nb14  1  0.333303  0.584116  0.833569  1
  Nb  Nb15  1  0.333203  0.917863  0.166842  1
  Nb  Nb16  1  0.333447  0.917466  0.499970  1
  Nb  Nb17  1  0.333447  0.917466  0.833713  1
  Nb  Nb18  1  0.667712  0.250435  0.166842  1
  Nb  Nb19  1  0.667185  0.250791  0.499832  1
  Nb  Nb20  1  0.667185  0.250791  0.833852  1
  Nb  Nb21  1  0.666941  0.584673  0.166842  1
  Nb  Nb22  1  0.667046  0.584116  0.500114  1
  Nb  Nb23  1  0.667046  0.584116  0.833569  1
  Nb  Nb24  1  0.667146  0.917863  0.166842  1
  Nb  Nb25  1  0.666902  0.917466  0.499970  1
  Nb  Nb26  1  0.666902  0.917466  0.833713  1
  Nb  Nb27  1  1.000175  0.091745  0.166842  1
  Nb  Nb28  1  1.000175  0.083552  0.500558  1
  Nb  Nb29  1  1.000175  0.083552  0.833125  1
  Nb  Nb30  1  1.000175  0.409837  0.166842  1
  Nb  Nb31  1  1.000175  0.416082  0.498513  1
  Nb  Nb32  1  1.000175  0.416082  0.835170  1
  Nb  Nb33  1  1.000175  0.750791  0.166842  1
  Nb  Nb34  1  1.000175  0.750123  0.499605  1
  Nb  Nb35  1  1.000175  0.750123  0.834078  1
  Nb  Nb36  1  0.331846  0.085500  0.166842  1
  Nb  Nb37  1  0.333359  0.084265  0.499865  1
  Nb  Nb38  1  0.333359  0.084265  0.833819  1
  Nb  Nb39  1  0.333891  0.418030  0.166842  1
  Nb  Nb40  1  0.333198  0.417317  0.500025  1
  Nb  Nb41  1  0.333198  0.417317  0.833658  1
  Nb  Nb42  1  0.332939  0.751459  0.166842  1
  Nb  Nb43  1  0.333331  0.750791  0.499998  1
  Nb  Nb44  1  0.333331  0.750791  0.833685  1
  Nb  Nb45  1  0.668504  0.085500  0.166842  1
  Nb  Nb46  1  0.666991  0.084265  0.499865  1
  Nb  Nb47  1  0.666991  0.084265  0.833819  1
  Nb  Nb48  1  0.666459  0.418030  0.166842  1
  Nb  Nb49  1  0.667152  0.417317  0.500025  1
  Nb  Nb50  1  0.667152  0.417317  0.833658  1
  Nb  Nb51  1  0.667411  0.751459  0.166842  1
  Nb  Nb52  1  0.667018  0.750791  0.499998  1
  Nb  Nb53  1  0.667018  0.750791  0.833685  1
  Nb  Nb54  1  0.165727  0.002857  0.249409  1
  Nb  Nb55  1  0.166863  1.000505  0.583486  1
  Nb  Nb56  1  0.166709  1.000455  0.916628  1
  Nb  Nb57  1  0.167822  0.335032  0.249736  1
  Nb  Nb58  1  0.166945  0.333934  0.583731  1
  Nb  Nb59  1  0.166192  0.333692  0.918463  1
  Nb  Nb60  1  0.165895  0.667280  0.249711  1
  Nb  Nb61  1  0.166742  0.666957  0.583306  1
  Nb  Nb62  1  0.166492  0.666983  0.917412  1
  Nb  Nb63  1  0.500175  0.001341  0.249840  1
  Nb  Nb64  1  0.500175  0.000824  0.583485  1
  Nb  Nb65  1  0.500175  0.000957  0.917121  1
  Nb  Nb66  1  0.500175  0.334238  0.249962  1
  Nb  Nb67  1  0.500175  0.334133  0.583397  1
  Nb  Nb68  1  0.500175  0.334256  0.916811  1
  Nb  Nb69  1  0.500175  0.668035  0.250195  1
  Nb  Nb70  1  0.500175  0.667474  0.583481  1
  Nb  Nb71  1  0.500175  0.667734  0.916990  1
  Nb  Nb72  1  0.834623  0.002857  0.249409  1
  Nb  Nb73  1  0.833487  1.000505  0.583486  1
  Nb  Nb74  1  0.833641  1.000455  0.916628  1
  Nb  Nb75  1  0.832528  0.335032  0.249736  1
  Nb  Nb76  1  0.833405  0.333934  0.583731  1
  Nb  Nb77  1  0.834157  0.333692  0.918463  1
  Nb  Nb78  1  0.834455  0.667280  0.249711  1
  Nb  Nb79  1  0.833608  0.666957  0.583306  1
  Nb  Nb80  1  0.833858  0.666983  0.917412  1
  Nb  Nb81  1  0.165727  0.002857  0.084274  1
  Nb  Nb82  1  0.166709  1.000455  0.417055  1
  Nb  Nb83  1  0.166863  1.000505  0.750197  1
  Nb  Nb84  1  0.167822  0.335032  0.083947  1
  Nb  Nb85  1  0.166192  0.333692  0.415220  1
  Nb  Nb86  1  0.166945  0.333934  0.749952  1
  Nb  Nb87  1  0.165895  0.667280  0.083972  1
  Nb  Nb88  1  0.166492  0.666983  0.416271  1
  Nb  Nb89  1  0.166742  0.666957  0.750378  1
  Nb  Nb90  1  0.500175  0.001341  0.083844  1
  Nb  Nb91  1  0.500175  0.000957  0.416563  1
  Nb  Nb92  1  0.500175  0.000824  0.750198  1
  Nb  Nb93  1  0.500175  0.334238  0.083721  1
  Nb  Nb94  1  0.500175  0.334256  0.416872  1
  Nb  Nb95  1  0.500175  0.334133  0.750287  1
  Nb  Nb96  1  0.500175  0.668035  0.083488  1
  Nb  Nb97  1  0.500175  0.667734  0.416693  1
  Nb  Nb98  1  0.500175  0.667474  0.750202  1
  Nb  Nb99  1  0.834623  0.002857  0.084274  1
  Nb  Nb100  1  0.833641  1.000455  0.417055  1
  Nb  Nb101  1  0.833487  1.000505  0.750197  1
  Nb  Nb102  1  0.832528  0.335032  0.083947  1
  Nb  Nb103  1  0.834157  0.333692  0.415220  1
  Nb  Nb104  1  0.833405  0.333934  0.749952  1
  Nb  Nb105  1  0.834455  0.667280  0.083972  1
  Nb  Nb106  1  0.833858  0.666983  0.416271  1
  Nb  Nb107  1  0.833608  0.666957  0.750378  1
  Nb  Nb108  1  0.083069  0.166550  0.999194  1
  Nb  Nb109  1  0.083069  0.166550  0.334489  1
  Nb  Nb110  1  0.083295  0.167344  0.666842  1
  Nb  Nb111  1  0.082742  0.498725  0.001289  1
  Nb  Nb112  1  0.082742  0.498725  0.332394  1
  Nb  Nb113  1  0.083173  0.500242  0.666842  1
  Nb  Nb114  1  0.083044  0.834302  0.001122  1
  Nb  Nb115  1  0.083044  0.834302  0.332561  1
  Nb  Nb116  1  0.083529  0.833547  0.666842  1
  Nb  Nb117  1  0.417065  0.167648  1.000071  1
  Nb  Nb118  1  0.417065  0.167648  0.333612  1
  Nb  Nb119  1  0.416730  0.167449  0.666842  1
  Nb  Nb120  1  0.416820  0.501077  1.000153  1
  Nb  Nb121  1  0.416820  0.501077  0.333530  1
  Nb  Nb122  1  0.416818  0.500758  0.666842  1
  Nb  Nb123  1  0.416639  0.834625  0.000275  1
  Nb  Nb124  1  0.416639  0.834625  0.333409  1
  Nb  Nb125  1  0.416815  0.834108  0.666842  1
  Nb  Nb126  1  0.751797  0.167890  0.000824  1
  Nb  Nb127  1  0.751797  0.167890  0.332859  1
  Nb  Nb128  1  0.750145  0.167326  0.666842  1
  Nb  Nb129  1  0.749962  0.501127  0.000308  1
  Nb  Nb130  1  0.749962  0.501127  0.333375  1
  Nb  Nb131  1  0.750454  0.500625  0.666842  1
  Nb  Nb132  1  0.750745  0.834599  0.000525  1
  Nb  Nb133  1  0.750745  0.834599  0.333158  1
  Nb  Nb134  1  0.750323  0.833848  0.666842  1
  Nb  Nb135  1  0.248553  0.167890  0.000824  1
  Nb  Nb136  1  0.248553  0.167890  0.332859  1
  Nb  Nb137  1  0.250205  0.167326  0.666842  1
  Nb  Nb138  1  0.250388  0.501127  0.000308  1
  Nb  Nb139  1  0.250388  0.501127  0.333375  1
  Nb  Nb140  1  0.249896  0.500625  0.666842  1
  Nb  Nb141  1  0.249605  0.834599  0.000525  1
  Nb  Nb142  1  0.249605  0.834599  0.333158  1
  Nb  Nb143  1  0.250027  0.833848  0.666842  1
  Nb  Nb144  1  0.583285  0.167648  1.000071  1
  Nb  Nb145  1  0.583285  0.167648  0.333612  1
  Nb  Nb146  1  0.583620  0.167449  0.666842  1
  Nb  Nb147  1  0.583530  0.501077  1.000153  1
  Nb  Nb148  1  0.583530  0.501077  0.333530  1
  Nb  Nb149  1  0.583532  0.500758  0.666842  1
  Nb  Nb150  1  0.583711  0.834625  0.000275  1
  Nb  Nb151  1  0.583711  0.834625  0.333409  1
  Nb  Nb152  1  0.583535  0.834108  0.666842  1
  Nb  Nb153  1  0.917281  0.166550  0.999194  1
  Nb  Nb154  1  0.917281  0.166550  0.334489  1
  Nb  Nb155  1  0.917055  0.167344  0.666842  1
  Nb  Nb156  1  0.917608  0.498725  0.001289  1
  Nb  Nb157  1  0.917608  0.498725  0.332394  1
  Nb  Nb158  1  0.917177  0.500242  0.666842  1
  Nb  Nb159  1  0.917306  0.834302  0.001122  1
  Nb  Nb160  1  0.917306  0.834302  0.332561  1
  Nb  Nb161  1  0.916821  0.833547  0.666842  1
  Al  Al162  1  1.000175  0.000909  0.000343  1
  Al  Al163  1  1.000175  0.000909  0.333340  1
  Al  Al164  1  1.000175  1.000102  0.666842  1
  Al  Al165  1  1.000175  0.329474  0.007036  1
  Al  Al166  1  1.000175  0.329474  0.326647  1
  Al  Al167  1  1.000175  0.333938  0.666842  1
  Al  Al168  1  1.000175  0.666325  0.001261  1
  Al  Al169  1  1.000175  0.666325  0.332423  1
  Al  Al170  1  1.000175  0.667191  0.666842  1
  Al  Al171  1  0.332916  0.001519  0.000671  1
  Al  Al172  1  0.332916  0.001519  0.333012  1
  Al  Al173  1  0.333497  1.000678  0.666842  1
  Al  Al174  1  0.333654  0.334069  0.000480  1
  Al  Al175  1  0.333654  0.334069  0.333203  1
  Al  Al176  1  0.333753  0.334056  0.666842  1
  Al  Al177  1  0.333234  0.668035  0.000382  1
  Al  Al178  1  0.333234  0.668035  0.333301  1
  Al  Al179  1  0.333429  0.667383  0.666842  1
  Al  Al180  1  0.667434  0.001519  0.000671  1
  Al  Al181  1  0.667434  0.001519  0.333012  1
  Al  Al182  1  0.666853  1.000678  0.666842  1
  Al  Al183  1  0.666696  0.334069  0.000480  1
  Al  Al184  1  0.666696  0.334069  0.333203  1
  Al  Al185  1  0.666597  0.334056  0.666842  1
  Al  Al186  1  0.667116  0.668035  0.000382  1
  Al  Al187  1  0.667116  0.668035  0.333301  1
  Al  Al188  1  0.666921  0.667383  0.666842  1
  Al  Al189  1  0.159980  0.172108  0.166842  1
  Al  Al190  1  0.166537  0.167513  0.500321  1
  Al  Al191  1  0.166537  0.167513  0.833362  1
  Al  Al192  1  0.166674  0.500674  0.166842  1
  Al  Al193  1  0.166346  0.500064  0.499582  1
  Al  Al194  1  0.166346  0.500064  0.834101  1
  Al  Al195  1  0.165756  0.835257  0.166842  1
  Al  Al196  1  0.166635  0.833548  0.499900  1
  Al  Al197  1  0.166635  0.833548  0.833783  1
  Al  Al198  1  0.500175  0.167644  0.166842  1
  Al  Al199  1  0.500175  0.167526  0.500420  1
  Al  Al200  1  0.500175  0.167526  0.833264  1
  Al  Al201  1  0.500175  0.501480  0.166842  1
  Al  Al202  1  0.500175  0.500904  0.500164  1
  Al  Al203  1  0.500175  0.500904  0.833520  1
  Al  Al204  1  0.500175  0.834391  0.166842  1
  Al  Al205  1  0.500175  0.834199  0.500095  1
  Al  Al206  1  0.500175  0.834199  0.833588  1
  Al  Al207  1  0.840370  0.172108  0.166842  1
  Al  Al208  1  0.833813  0.167513  0.500321  1
  Al  Al209  1  0.833813  0.167513  0.833362  1
  Al  Al210  1  0.833676  0.500674  0.166842  1
  Al  Al211  1  0.834004  0.500064  0.499582  1
  Al  Al212  1  0.834004  0.500064  0.834101  1
  Al  Al213  1  0.834594  0.835257  0.166842  1
  Al  Al214  1  0.833715  0.833548  0.499900  1
  Al  Al215  1  0.833715  0.833548  0.833783  1
