# generated using pymatgen
data_Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.65684992
_cell_length_b   12.66248265
_cell_length_c   47.58838829
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   84.26082953
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al
_chemical_formula_sum   Al216
_cell_volume   7588.62491844
_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  0.112702  0.282521  0.327165  1
  Al  Al2  1  0.446195  0.946194  0.327585  1
  Al  Al3  1  0.504655  0.339057  0.277547  1
  Al  Al4  1  0.781679  0.615256  0.327916  1
  Al  Al5  1  0.838204  1.003183  0.277670  1
  Al  Al6  1  0.811242  0.308579  0.299943  1
  Al  Al7  1  0.084666  0.584016  0.352006  1
  Al  Al8  1  0.142637  0.975343  0.301116  1
  Al  Al9  1  0.474817  0.642732  0.301204  1
  Al  Al10  1  0.948194  0.445795  0.327240  1
  Al  Al11  1  0.281652  0.113826  0.328182  1
  Al  Al12  1  0.339691  0.507510  0.278220  1
  Al  Al13  1  0.613996  0.780988  0.327884  1
  Al  Al14  1  0.670679  0.170792  0.277575  1
  Al  Al15  1  0.640176  0.475598  0.300829  1
  Al  Al16  1  0.007568  0.838969  0.278186  1
  Al  Al17  1  0.975486  0.144537  0.299905  1
  Al  Al18  1  0.303418  0.803705  0.298651  1
  Al  Al19  1  0.140040  0.473267  0.299813  1
  Al  Al20  1  0.474544  0.141792  0.300991  1
  Al  Al21  1  0.447989  0.447398  0.328121  1
  Al  Al22  1  0.808411  0.807069  0.300816  1
  Al  Al23  1  0.780704  0.114183  0.327710  1
  Al  Al24  1  0.839067  0.506436  0.278334  1
  Al  Al25  1  0.115116  0.779536  0.327427  1
  Al  Al26  1  0.173193  0.174554  0.278161  1
  Al  Al27  1  0.505899  0.839677  0.277569  1
  Al  Al28  1  0.917771  0.251024  0.351791  1
  Al  Al29  1  0.339029  0.007006  0.277640  1
  Al  Al30  1  0.309139  0.308566  0.301364  1
  Al  Al31  1  0.671643  0.671874  0.277542  1
  Al  Al32  1  0.641314  0.974501  0.301006  1
  Al  Al33  1  0.615531  0.281170  0.327582  1
  Al  Al34  1  0.980364  0.641548  0.300474  1
  Al  Al35  1  0.947461  0.949524  0.327829  1
  Al  Al36  1  0.277480  0.614040  0.326991  1
  Al  Al37  1  0.024032  0.190918  0.403608  1
  Al  Al38  1  0.357383  0.857424  0.403801  1
  Al  Al39  1  0.418475  0.251142  0.352226  1
  Al  Al40  1  0.690912  0.524106  0.403690  1
  Al  Al41  1  0.751317  0.917868  0.352021  1
  Al  Al42  1  0.721348  0.221460  0.378319  1
  Al  Al43  1  0.993645  0.493846  0.429640  1
  Al  Al44  1  0.054955  0.887644  0.378165  1
  Al  Al45  1  0.387240  0.555207  0.378138  1
  Al  Al46  1  0.857410  0.357472  0.403533  1
  Al  Al47  1  0.190627  0.024007  0.403599  1
  Al  Al48  1  0.251240  0.417795  0.352168  1
  Al  Al49  1  0.523689  0.690791  0.403635  1
  Al  Al50  1  0.584168  0.084307  0.351978  1
  Al  Al51  1  0.554876  0.388096  0.378491  1
  Al  Al52  1  0.917927  0.751654  0.351968  1
  Al  Al53  1  0.888092  0.054935  0.378426  1
  Al  Al54  1  0.221425  0.721341  0.378585  1
  Al  Al55  1  0.054842  0.388223  0.378475  1
  Al  Al56  1  0.388176  0.054562  0.378543  1
  Al  Al57  1  0.357315  0.357497  0.403731  1
  Al  Al58  1  0.721400  0.721514  0.378509  1
  Al  Al59  1  0.690699  0.024081  0.403682  1
  Al  Al60  1  0.750914  0.418316  0.351849  1
  Al  Al61  1  0.023973  0.690683  0.403596  1
  Al  Al62  1  0.084740  0.084609  0.351981  1
  Al  Al63  1  0.416502  0.751238  0.351794  1
  Al  Al64  1  0.827087  0.160565  0.429641  1
  Al  Al65  1  0.251601  0.917038  0.351922  1
  Al  Al66  1  0.220810  0.221744  0.378190  1
  Al  Al67  1  0.584495  0.584920  0.352132  1
  Al  Al68  1  0.554453  0.887981  0.378404  1
  Al  Al69  1  0.524209  0.190705  0.403786  1
  Al  Al70  1  0.888417  0.554309  0.378110  1
  Al  Al71  1  0.857535  0.857480  0.403700  1
  Al  Al72  1  0.190752  0.524192  0.403754  1
  Al  Al73  1  0.932816  0.099590  0.481032  1
  Al  Al74  1  0.266071  0.766248  0.481060  1
  Al  Al75  1  0.326834  0.160542  0.429621  1
  Al  Al76  1  0.599458  0.432914  0.481025  1
  Al  Al77  1  0.660380  0.827112  0.429686  1
  Al  Al78  1  0.629989  0.129975  0.455275  1
  Al  Al79  1  0.902400  0.402452  0.506737  1
  Al  Al80  1  0.963210  0.796580  0.455223  1
  Al  Al81  1  0.296516  0.463296  0.455272  1
  Al  Al82  1  0.766247  0.266264  0.481072  1
  Al  Al83  1  0.099411  0.932930  0.481056  1
  Al  Al84  1  0.160381  0.327116  0.429680  1
  Al  Al85  1  0.432827  0.599539  0.481069  1
  Al  Al86  1  0.493811  0.993799  0.429749  1
  Al  Al87  1  0.463183  0.296646  0.455250  1
  Al  Al88  1  0.827234  0.660309  0.429606  1
  Al  Al89  1  0.796584  0.963304  0.455232  1
  Al  Al90  1  0.129782  0.629984  0.455243  1
  Al  Al91  1  0.963156  0.296657  0.455201  1
  Al  Al92  1  0.296426  0.963348  0.455246  1
  Al  Al93  1  0.266061  0.266265  0.481066  1
  Al  Al94  1  0.629851  0.629915  0.455201  1
  Al  Al95  1  0.599560  0.932913  0.481084  1
  Al  Al96  1  0.660549  0.327151  0.429679  1
  Al  Al97  1  0.932857  0.599533  0.481066  1
  Al  Al98  1  0.993807  0.993762  0.429598  1
  Al  Al99  1  0.327111  0.660397  0.429720  1
  Al  Al100  1  0.735773  0.069140  0.506728  1
  Al  Al101  1  0.160224  0.827192  0.429666  1
  Al  Al102  1  0.129790  0.129948  0.455199  1
  Al  Al103  1  0.493568  0.493890  0.429594  1
  Al  Al104  1  0.463235  0.796597  0.455278  1
  Al  Al105  1  0.432728  0.099648  0.481047  1
  Al  Al106  1  0.796621  0.463250  0.455218  1
  Al  Al107  1  0.766207  0.766142  0.481028  1
  Al  Al108  1  0.099407  0.432942  0.481063  1
  Al  Al109  1  0.841647  0.008231  0.558155  1
  Al  Al110  1  0.174699  0.674783  0.558204  1
  Al  Al111  1  0.235581  0.069139  0.506707  1
  Al  Al112  1  0.508050  0.341674  0.558138  1
  Al  Al113  1  0.569035  0.735733  0.506703  1
  Al  Al114  1  0.538538  0.038774  0.532456  1
  Al  Al115  1  0.811198  0.311259  0.584077  1
  Al  Al116  1  0.872067  0.705219  0.532493  1
  Al  Al117  1  0.205063  0.372177  0.532524  1
  Al  Al118  1  0.674789  0.175028  0.558122  1
  Al  Al119  1  0.008153  0.841467  0.558160  1
  Al  Al120  1  0.068938  0.235798  0.506706  1
  Al  Al121  1  0.341258  0.508253  0.558167  1
  Al  Al122  1  0.402268  0.902456  0.506698  1
  Al  Al123  1  0.371777  0.205490  0.532487  1
  Al  Al124  1  0.735688  0.569059  0.506687  1
  Al  Al125  1  0.705415  0.871946  0.532475  1
  Al  Al126  1  0.038639  0.538698  0.532593  1
  Al  Al127  1  0.872060  0.205409  0.532558  1
  Al  Al128  1  0.205169  0.872046  0.532503  1
  Al  Al129  1  0.174660  0.174936  0.558146  1
  Al  Al130  1  0.538613  0.538643  0.532479  1
  Al  Al131  1  0.508012  0.841538  0.558085  1
  Al  Al132  1  0.568988  0.235829  0.506707  1
  Al  Al133  1  0.841496  0.508272  0.558172  1
  Al  Al134  1  0.902364  0.902396  0.506701  1
  Al  Al135  1  0.235582  0.569115  0.506731  1
  Al  Al136  1  0.644442  0.977742  0.583809  1
  Al  Al137  1  0.069002  0.735735  0.506734  1
  Al  Al138  1  0.038504  0.038775  0.532494  1
  Al  Al139  1  0.402273  0.402468  0.506723  1
  Al  Al140  1  0.371817  0.705348  0.532485  1
  Al  Al141  1  0.341363  0.008242  0.558121  1
  Al  Al142  1  0.705360  0.372017  0.532483  1
  Al  Al143  1  0.674843  0.674862  0.558115  1
  Al  Al144  1  0.008168  0.341565  0.558213  1
  Al  Al145  1  0.751247  0.916216  0.635034  1
  Al  Al146  1  0.083178  0.583878  0.636052  1
  Al  Al147  1  0.144037  0.978067  0.583954  1
  Al  Al148  1  0.415841  0.251634  0.635285  1
  Al  Al149  1  0.477653  0.644307  0.583889  1
  Al  Al150  1  0.447054  0.947292  0.609473  1
  Al  Al151  1  0.720629  0.220698  0.660551  1
  Al  Al152  1  0.780666  0.614189  0.609587  1
  Al  Al153  1  0.113896  0.280470  0.609632  1
  Al  Al154  1  0.583743  0.083945  0.635080  1
  Al  Al155  1  0.917489  0.750528  0.636091  1
  Al  Al156  1  0.977967  0.144561  0.584165  1
  Al  Al157  1  0.250281  0.417179  0.636086  1
  Al  Al158  1  0.310773  0.811138  0.583962  1
  Al  Al159  1  0.280232  0.114023  0.609486  1
  Al  Al160  1  0.644701  0.477664  0.583939  1
  Al  Al161  1  0.613778  0.780577  0.609412  1
  Al  Al162  1  0.947026  0.447272  0.609553  1
  Al  Al163  1  0.780698  0.114127  0.609438  1
  Al  Al164  1  0.113534  0.780305  0.609576  1
  Al  Al165  1  0.083922  0.084075  0.636089  1
  Al  Al166  1  0.446899  0.447426  0.609536  1
  Al  Al167  1  0.417037  0.749987  0.635250  1
  Al  Al168  1  0.477458  0.144781  0.583894  1
  Al  Al169  1  0.750855  0.417200  0.635849  1
  Al  Al170  1  0.811606  0.810794  0.583941  1
  Al  Al171  1  0.144319  0.477906  0.584251  1
  Al  Al172  1  0.553854  0.887231  0.660562  1
  Al  Al173  1  0.977812  0.644467  0.584173  1
  Al  Al174  1  0.947632  0.947222  0.609607  1
  Al  Al175  1  0.310567  0.311570  0.583959  1
  Al  Al176  1  0.280188  0.613649  0.609625  1
  Al  Al177  1  0.248924  0.917959  0.635285  1
  Al  Al178  1  0.613854  0.281018  0.609536  1
  Al  Al179  1  0.584604  0.582816  0.635248  1
  Al  Al180  1  0.917083  0.250561  0.635810  1
  Al  Al181  1  0.664664  0.832172  0.711888  1
  Al  Al182  1  0.994778  0.495775  0.710652  1
  Al  Al183  1  0.054463  0.887575  0.660656  1
  Al  Al184  1  0.331771  0.163703  0.711597  1
  Al  Al185  1  0.387454  0.553845  0.660583  1
  Al  Al186  1  0.356218  0.858806  0.684922  1
  Al  Al187  1  0.630546  0.130458  0.733328  1
  Al  Al188  1  0.693002  0.526830  0.687336  1
  Al  Al189  1  0.026482  0.192804  0.687249  1
  Al  Al190  1  0.492480  0.996732  0.711161  1
  Al  Al191  1  0.827597  0.663157  0.710987  1
  Al  Al192  1  0.887027  0.054207  0.660451  1
  Al  Al193  1  0.162436  0.328923  0.710706  1
  Al  Al194  1  0.220008  0.720202  0.660455  1
  Al  Al195  1  0.193863  0.027118  0.687864  1
  Al  Al196  1  0.554168  0.387990  0.660618  1
  Al  Al197  1  0.527635  0.690114  0.685458  1
  Al  Al198  1  0.858606  0.358673  0.687493  1
  Al  Al199  1  0.692511  0.023012  0.685228  1
  Al  Al200  1  0.026185  0.694088  0.687800  1
  Al  Al201  1  0.995532  0.995304  0.711000  1
  Al  Al202  1  0.360837  0.360231  0.687832  1
  Al  Al203  1  0.327810  0.660739  0.711045  1
  Al  Al204  1  0.387072  0.054114  0.660428  1
  Al  Al205  1  0.661335  0.330605  0.711307  1
  Al  Al206  1  0.720368  0.721639  0.660590  1
  Al  Al207  1  0.053171  0.386924  0.660340  1
  Al  Al208  1  0.464703  0.798963  0.733220  1
  Al  Al209  1  0.886863  0.554217  0.660483  1
  Al  Al210  1  0.859594  0.860381  0.687294  1
  Al  Al211  1  0.221314  0.220635  0.660615  1
  Al  Al212  1  0.191809  0.525534  0.687092  1
  Al  Al213  1  0.165519  0.830178  0.711381  1
  Al  Al214  1  0.523632  0.194158  0.685082  1
  Al  Al215  1  0.496858  0.498126  0.711660  1
  Al  Al216  1  0.830167  0.161379  0.711200  1
