# generated using pymatgen
data_Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.77009507
_cell_length_b   12.76976827
_cell_length_c   47.73671299
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   84.26082952
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al
_chemical_formula_sum   Al216
_cell_volume   7745.46071895
_cell_formula_units_Z   216
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  0.143856  0.475462  0.301423  1
  Al  Al2  1  0.477453  0.144154  0.302191  1
  Al  Al3  1  0.447981  0.447543  0.328447  1
  Al  Al4  1  0.810915  0.812807  0.302382  1
  Al  Al5  1  0.780372  0.114345  0.328443  1
  Al  Al6  1  0.749696  0.416231  0.353707  1
  Al  Al7  1  0.113247  0.780417  0.328283  1
  Al  Al8  1  0.174763  0.178833  0.277524  1
  Al  Al9  1  0.510001  0.842291  0.277099  1
  Al  Al10  1  0.916047  0.249880  0.353707  1
  Al  Al11  1  0.342102  0.010190  0.277099  1
  Al  Al12  1  0.312621  0.311100  0.302382  1
  Al  Al13  1  0.678643  0.674952  0.277524  1
  Al  Al14  1  0.643969  0.977638  0.302191  1
  Al  Al15  1  0.614159  0.280558  0.328443  1
  Al  Al16  1  0.975277  0.644042  0.301423  1
  Al  Al17  1  0.947357  0.948167  0.328447  1
  Al  Al18  1  0.280231  0.613433  0.328283  1
  Al  Al19  1  0.113197  0.281050  0.328306  1
  Al  Al20  1  0.446992  0.947178  0.328414  1
  Al  Al21  1  0.509326  0.342466  0.277203  1
  Al  Al22  1  0.780865  0.613381  0.328305  1
  Al  Al23  1  0.842277  0.009515  0.277203  1
  Al  Al24  1  0.811919  0.312106  0.301566  1
  Al  Al25  1  0.176541  0.676730  0.277290  1
  Al  Al26  1  0.144415  0.978218  0.302119  1
  Al  Al27  1  0.478032  0.644601  0.302119  1
  Al  Al28  1  0.946439  0.446623  0.327286  1
  Al  Al29  1  0.280591  0.114047  0.328523  1
  Al  Al30  1  0.343663  0.509860  0.277170  1
  Al  Al31  1  0.613861  0.780777  0.328523  1
  Al  Al32  1  0.674880  0.175069  0.277324  1
  Al  Al33  1  0.645386  0.477639  0.302041  1
  Al  Al34  1  0.009671  0.843852  0.277170  1
  Al  Al35  1  0.977453  0.145574  0.302041  1
  Al  Al36  1  0.311109  0.811295  0.302058  1
  Al  Al37  1  0.052414  0.386674  0.379179  1
  Al  Al38  1  0.386137  0.053032  0.379400  1
  Al  Al39  1  0.355588  0.355934  0.404862  1
  Al  Al40  1  0.719896  0.719585  0.379312  1
  Al  Al41  1  0.688922  0.022427  0.404939  1
  Al  Al42  1  0.658529  0.325411  0.430679  1
  Al  Al43  1  0.022299  0.688937  0.404714  1
  Al  Al44  1  0.083275  0.083584  0.353534  1
  Al  Al45  1  0.416409  0.749852  0.353432  1
  Al  Al46  1  0.825230  0.158710  0.430679  1
  Al  Al47  1  0.249668  0.916593  0.353432  1
  Al  Al48  1  0.219402  0.220079  0.379312  1
  Al  Al49  1  0.583400  0.583459  0.353534  1
  Al  Al50  1  0.552849  0.886320  0.379400  1
  Al  Al51  1  0.522245  0.189105  0.404939  1
  Al  Al52  1  0.886491  0.552597  0.379179  1
  Al  Al53  1  0.855752  0.855770  0.404862  1
  Al  Al54  1  0.188755  0.522481  0.404714  1
  Al  Al55  1  0.022378  0.189307  0.404900  1
  Al  Al56  1  0.355529  0.855711  0.404819  1
  Al  Al57  1  0.416933  0.250154  0.353580  1
  Al  Al58  1  0.689125  0.522560  0.404900  1
  Al  Al59  1  0.749970  0.917117  0.353580  1
  Al  Al60  1  0.719311  0.219494  0.379486  1
  Al  Al61  1  0.082905  0.583089  0.353058  1
  Al  Al62  1  0.052864  0.886414  0.379345  1
  Al  Al63  1  0.386231  0.553047  0.379345  1
  Al  Al64  1  0.855624  0.355807  0.404968  1
  Al  Al65  1  0.188984  0.022586  0.404852  1
  Al  Al66  1  0.250061  0.416895  0.353394  1
  Al  Al67  1  0.522404  0.689166  0.404852  1
  Al  Al68  1  0.583202  0.083386  0.353519  1
  Al  Al69  1  0.552911  0.386379  0.379448  1
  Al  Al70  1  0.916711  0.750245  0.353394  1
  Al  Al71  1  0.886196  0.053094  0.379448  1
  Al  Al72  1  0.219287  0.719470  0.379232  1
  Al  Al73  1  0.961391  0.294885  0.456256  1
  Al  Al74  1  0.294651  0.961523  0.456204  1
  Al  Al75  1  0.264189  0.264476  0.481917  1
  Al  Al76  1  0.628082  0.628220  0.456229  1
  Al  Al77  1  0.597589  0.931047  0.481940  1
  Al  Al78  1  0.567066  0.233911  0.507564  1
  Al  Al79  1  0.930912  0.597734  0.481912  1
  Al  Al80  1  0.991930  0.992085  0.430634  1
  Al  Al81  1  0.325128  0.658676  0.430564  1
  Al  Al82  1  0.733733  0.067244  0.507564  1
  Al  Al83  1  0.158494  0.825309  0.430564  1
  Al  Al84  1  0.128040  0.128262  0.456229  1
  Al  Al85  1  0.491904  0.492112  0.430634  1
  Al  Al86  1  0.461343  0.794831  0.456204  1
  Al  Al87  1  0.430868  0.097768  0.481940  1
  Al  Al88  1  0.794705  0.461571  0.456256  1
  Al  Al89  1  0.764296  0.764368  0.481917  1
  Al  Al90  1  0.097555  0.431091  0.481912  1
  Al  Al91  1  0.930901  0.097757  0.481936  1
  Al  Al92  1  0.264203  0.764382  0.481880  1
  Al  Al93  1  0.325093  0.158818  0.430623  1
  Al  Al94  1  0.597578  0.431080  0.481936  1
  Al  Al95  1  0.658637  0.825274  0.430623  1
  Al  Al96  1  0.628016  0.128196  0.456255  1
  Al  Al97  1  0.991838  0.492019  0.430589  1
  Al  Al98  1  0.961408  0.794789  0.456165  1
  Al  Al99  1  0.294609  0.461588  0.456165  1
  Al  Al100  1  0.764234  0.264413  0.481945  1
  Al  Al101  1  0.097556  0.931069  0.481898  1
  Al  Al102  1  0.158396  0.325539  0.430568  1
  Al  Al103  1  0.430890  0.597735  0.481898  1
  Al  Al104  1  0.491800  0.991981  0.430654  1
  Al  Al105  1  0.461321  0.294919  0.456228  1
  Al  Al106  1  0.825358  0.658577  0.430567  1
  Al  Al107  1  0.794739  0.961501  0.456228  1
  Al  Al108  1  0.127981  0.628161  0.456142  1
  Al  Al109  1  0.869886  0.203490  0.533249  1
  Al  Al110  1  0.203230  0.870136  0.533193  1
  Al  Al111  1  0.172804  0.173001  0.558874  1
  Al  Al112  1  0.536674  0.536721  0.533219  1
  Al  Al113  1  0.506156  0.839655  0.558890  1
  Al  Al114  1  0.475718  0.142573  0.584682  1
  Al  Al115  1  0.839442  0.506242  0.558839  1
  Al  Al116  1  0.900399  0.900562  0.507525  1
  Al  Al117  1  0.233707  0.567219  0.507495  1
  Al  Al118  1  0.642398  0.975893  0.584682  1
  Al  Al119  1  0.067041  0.733885  0.507495  1
  Al  Al120  1  0.036544  0.036851  0.533219  1
  Al  Al121  1  0.400384  0.400577  0.507525  1
  Al  Al122  1  0.369959  0.703407  0.533193  1
  Al  Al123  1  0.339479  0.006332  0.558890  1
  Al  Al124  1  0.703313  0.370062  0.533249  1
  Al  Al125  1  0.672826  0.672980  0.558875  1
  Al  Al126  1  0.006066  0.339618  0.558839  1
  Al  Al127  1  0.839423  0.006308  0.558862  1
  Al  Al128  1  0.172709  0.672885  0.558774  1
  Al  Al129  1  0.233748  0.067275  0.507554  1
  Al  Al130  1  0.506132  0.339599  0.558862  1
  Al  Al131  1  0.567097  0.733926  0.507554  1
  Al  Al132  1  0.536632  0.036809  0.533292  1
  Al  Al133  1  0.900411  0.400589  0.507548  1
  Al  Al134  1  0.869933  0.703461  0.533252  1
  Al  Al135  1  0.203284  0.370110  0.533252  1
  Al  Al136  1  0.672783  0.172959  0.558900  1
  Al  Al137  1  0.006037  0.839629  0.558806  1
  Al  Al138  1  0.067087  0.233933  0.507559  1
  Al  Al139  1  0.339453  0.506213  0.558806  1
  Al  Al140  1  0.400413  0.900591  0.507552  1
  Al  Al141  1  0.369955  0.203479  0.533277  1
  Al  Al142  1  0.733755  0.567265  0.507559  1
  Al  Al143  1  0.703302  0.870132  0.533277  1
  Al  Al144  1  0.036590  0.536767  0.533232  1
  Al  Al145  1  0.778492  0.111919  0.610212  1
  Al  Al146  1  0.111638  0.778543  0.610011  1
  Al  Al147  1  0.081115  0.082064  0.635810  1
  Al  Al148  1  0.445160  0.445303  0.610134  1
  Al  Al149  1  0.414854  0.747926  0.635631  1
  Al  Al150  1  0.384123  0.050767  0.661491  1
  Al  Al151  1  0.748084  0.414835  0.636072  1
  Al  Al152  1  0.809027  0.809252  0.584650  1
  Al  Al153  1  0.142298  0.475776  0.584582  1
  Al  Al154  1  0.550596  0.884295  0.661491  1
  Al  Al155  1  0.975601  0.642473  0.584582  1
  Al  Al156  1  0.945129  0.945334  0.610134  1
  Al  Al157  1  0.309077  0.309202  0.584650  1
  Al  Al158  1  0.278369  0.611812  0.610011  1
  Al  Al159  1  0.247753  0.915027  0.635631  1
  Al  Al160  1  0.611745  0.278666  0.610212  1
  Al  Al161  1  0.581891  0.581288  0.635809  1
  Al  Al162  1  0.914662  0.248257  0.636072  1
  Al  Al163  1  0.748228  0.915058  0.636162  1
  Al  Al164  1  0.081218  0.581392  0.635929  1
  Al  Al165  1  0.142156  0.975989  0.584488  1
  Al  Al166  1  0.414884  0.248401  0.636162  1
  Al  Al167  1  0.475814  0.642331  0.584488  1
  Al  Al168  1  0.445204  0.945378  0.610220  1
  Al  Al169  1  0.808943  0.309118  0.584643  1
  Al  Al170  1  0.778582  0.611981  0.610118  1
  Al  Al171  1  0.111807  0.278755  0.610118  1
  Al  Al172  1  0.581343  0.081516  0.636136  1
  Al  Al173  1  0.914800  0.748357  0.636040  1
  Al  Al174  1  0.975479  0.142660  0.584563  1
  Al  Al175  1  0.248183  0.414973  0.636040  1
  Al  Al176  1  0.308936  0.809111  0.584453  1
  Al  Al177  1  0.278624  0.112111  0.610200  1
  Al  Al178  1  0.642485  0.475654  0.584563  1
  Al  Al179  1  0.611937  0.778798  0.610200  1
  Al  Al180  1  0.945013  0.445187  0.610101  1
  Al  Al181  1  0.687304  0.020492  0.687587  1
  Al  Al182  1  0.019916  0.686601  0.687359  1
  Al  Al183  1  0.992135  0.989161  0.712957  1
  Al  Al184  1  0.354282  0.354985  0.687716  1
  Al  Al185  1  0.319957  0.655430  0.712510  1
  Al  Al186  1  0.289530  0.957654  0.736798  1
  Al  Al187  1  0.655118  0.322765  0.712539  1
  Al  Al188  1  0.717888  0.718036  0.661221  1
  Al  Al189  1  0.050700  0.384179  0.661120  1
  Al  Al190  1  0.457487  0.789696  0.736797  1
  Al  Al191  1  0.884008  0.550871  0.661120  1
  Al  Al192  1  0.854812  0.854453  0.687716  1
  Al  Al193  1  0.217864  0.218060  0.661221  1
  Al  Al194  1  0.186429  0.520088  0.687359  1
  Al  Al195  1  0.155263  0.820125  0.712510  1
  Al  Al196  1  0.520320  0.187476  0.687586  1
  Al  Al197  1  0.488993  0.492304  0.712957  1
  Al  Al198  1  0.822597  0.155285  0.712539  1
  Al  Al199  1  0.656149  0.822218  0.712686  1
  Al  Al200  1  0.988301  0.488469  0.712507  1
  Al  Al201  1  0.051192  0.884264  0.661151  1
  Al  Al202  1  0.322051  0.156319  0.712686  1
  Al  Al203  1  0.384093  0.551363  0.661151  1
  Al  Al204  1  0.353015  0.853185  0.686216  1
  Al  Al205  1  0.717493  0.217664  0.661204  1
  Al  Al206  1  0.687051  0.521012  0.687553  1
  Al  Al207  1  0.020841  0.187222  0.687553  1
  Al  Al208  1  0.489625  0.989794  0.712752  1
  Al  Al209  1  0.821536  0.655522  0.712674  1
  Al  Al210  1  0.884792  0.050984  0.661288  1
  Al  Al211  1  0.155353  0.321705  0.712674  1
  Al  Al212  1  0.217320  0.717491  0.660986  1
  Al  Al213  1  0.186582  0.020845  0.686606  1
  Al  Al214  1  0.550812  0.384964  0.661288  1
  Al  Al215  1  0.520674  0.686752  0.686605  1
  Al  Al216  1  0.853585  0.353756  0.687498  1
