# generated using pymatgen
data_Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.64590090
_cell_length_b   12.64987044
_cell_length_c   47.59295161
_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   7575.23462609
_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  0.112235  0.282547  0.327514  1
  Al  Al2  1  0.446035  0.948167  0.327168  1
  Al  Al3  1  0.505896  0.339555  0.277595  1
  Al  Al4  1  0.780385  0.615075  0.328010  1
  Al  Al5  1  0.837026  1.003654  0.277653  1
  Al  Al6  1  0.811144  0.309129  0.299854  1
  Al  Al7  1  0.171316  0.671086  0.277775  1
  Al  Al8  1  0.145417  0.974935  0.299778  1
  Al  Al9  1  0.475241  0.641446  0.300935  1
  Al  Al10  1  0.947996  0.446222  0.327179  1
  Al  Al11  1  0.282377  0.112420  0.327527  1
  Al  Al12  1  0.339440  0.506013  0.277596  1
  Al  Al13  1  0.614911  0.780549  0.328011  1
  Al  Al14  1  0.670976  0.171441  0.277777  1
  Al  Al15  1  0.641264  0.475422  0.300934  1
  Al  Al16  1  1.003540  0.837147  0.277655  1
  Al  Al17  1  0.974752  0.145580  0.299775  1
  Al  Al18  1  0.308941  0.811308  0.299851  1
  Al  Al19  1  0.136897  0.469166  0.298558  1
  Al  Al20  1  0.468974  0.137088  0.298557  1
  Al  Al21  1  0.447835  0.447983  0.327862  1
  Al  Al22  1  0.807004  0.807193  0.300752  1
  Al  Al23  1  0.780826  0.114583  0.327700  1
  Al  Al24  1  0.839743  0.506576  0.277899  1
  Al  Al25  1  0.114436  0.780971  0.327699  1
  Al  Al26  1  0.174527  0.174622  0.278586  1
  Al  Al27  1  0.506466  0.839851  0.277898  1
  Al  Al28  1  0.917502  0.251506  0.351700  1
  Al  Al29  1  0.251311  0.917696  0.351700  1
  Al  Al30  1  0.309279  0.309459  0.301413  1
  Al  Al31  1  0.671505  0.671617  0.277379  1
  Al  Al32  1  0.640992  0.975034  0.301228  1
  Al  Al33  1  0.614378  0.280522  0.327330  1
  Al  Al34  1  0.974847  0.641176  0.301228  1
  Al  Al35  1  0.949339  0.949486  0.327247  1
  Al  Al36  1  0.280367  0.614525  0.327330  1
  Al  Al37  1  0.024480  0.191195  0.403334  1
  Al  Al38  1  0.357620  0.857890  0.403426  1
  Al  Al39  1  0.418746  0.251080  0.351703  1
  Al  Al40  1  0.691193  0.524402  0.403568  1
  Al  Al41  1  0.752043  0.918381  0.351814  1
  Al  Al42  1  0.721473  0.221843  0.378176  1
  Al  Al43  1  0.085399  0.584035  0.351593  1
  Al  Al44  1  0.054982  0.888622  0.378117  1
  Al  Al45  1  0.387994  0.555084  0.378286  1
  Al  Al46  1  0.857686  0.357823  0.403425  1
  Al  Al47  1  0.190990  0.024684  0.403333  1
  Al  Al48  1  0.250884  0.418931  0.351701  1
  Al  Al49  1  0.524197  0.691396  0.403567  1
  Al  Al50  1  0.583839  0.085587  0.351590  1
  Al  Al51  1  0.554902  0.388180  0.378288  1
  Al  Al52  1  0.918191  0.752230  0.351814  1
  Al  Al53  1  0.888441  0.055165  0.378118  1
  Al  Al54  1  0.221662  0.721658  0.378177  1
  Al  Al55  1  0.055127  0.388742  0.378476  1
  Al  Al56  1  0.388563  0.055308  0.378476  1
  Al  Al57  1  0.357328  0.357534  0.403364  1
  Al  Al58  1  0.721855  0.722038  0.378472  1
  Al  Al59  1  0.690753  0.024515  0.403374  1
  Al  Al60  1  0.750743  0.418027  0.351807  1
  Al  Al61  1  0.024313  0.690959  0.403375  1
  Al  Al62  1  0.084721  0.084924  0.351629  1
  Al  Al63  1  0.417830  0.750942  0.351806  1
  Al  Al64  1  0.827395  0.160806  0.429404  1
  Al  Al65  1  0.160603  0.827600  0.429404  1
  Al  Al66  1  0.221561  0.221755  0.377724  1
  Al  Al67  1  0.584560  0.584753  0.352131  1
  Al  Al68  1  0.554458  0.888915  0.377968  1
  Al  Al69  1  0.524402  0.191193  0.403615  1
  Al  Al70  1  0.888728  0.554650  0.377971  1
  Al  Al71  1  0.857800  0.858001  0.403570  1
  Al  Al72  1  0.190991  0.524603  0.403615  1
  Al  Al73  1  0.933088  0.099962  0.480841  1
  Al  Al74  1  0.266311  0.766743  0.480865  1
  Al  Al75  1  0.327078  0.161011  0.429443  1
  Al  Al76  1  0.599731  0.433248  0.480869  1
  Al  Al77  1  0.660535  0.827760  0.429484  1
  Al  Al78  1  0.630235  0.130295  0.455077  1
  Al  Al79  1  0.993919  0.494317  0.429534  1
  Al  Al80  1  0.963558  0.797006  0.455038  1
  Al  Al81  1  0.296797  0.463580  0.455059  1
  Al  Al82  1  0.766522  0.266533  0.480866  1
  Al  Al83  1  0.099741  0.933311  0.480841  1
  Al  Al84  1  0.160807  0.327284  0.429444  1
  Al  Al85  1  0.433027  0.599953  0.480869  1
  Al  Al86  1  0.494115  0.994123  0.429534  1
  Al  Al87  1  0.463363  0.297013  0.455059  1
  Al  Al88  1  0.827556  0.660742  0.429486  1
  Al  Al89  1  0.796789  0.963773  0.455037  1
  Al  Al90  1  0.130079  0.630450  0.455076  1
  Al  Al91  1  0.963504  0.296920  0.455000  1
  Al  Al92  1  0.296702  0.963723  0.454999  1
  Al  Al93  1  0.266402  0.266622  0.480914  1
  Al  Al94  1  0.630140  0.630358  0.455061  1
  Al  Al95  1  0.599805  0.933381  0.480935  1
  Al  Al96  1  0.660801  0.327504  0.429526  1
  Al  Al97  1  0.933161  0.600025  0.480935  1
  Al  Al98  1  0.994118  0.994320  0.429429  1
  Al  Al99  1  0.327301  0.661003  0.429525  1
  Al  Al100  1  0.735979  0.069523  0.506573  1
  Al  Al101  1  0.069293  0.736209  0.506573  1
  Al  Al102  1  0.130122  0.130339  0.454999  1
  Al  Al103  1  0.493900  0.494105  0.429487  1
  Al  Al104  1  0.463420  0.797125  0.455077  1
  Al  Al105  1  0.433008  0.099996  0.480877  1
  Al  Al106  1  0.796908  0.463637  0.455078  1
  Al  Al107  1  0.766443  0.766665  0.480863  1
  Al  Al108  1  0.099775  0.433229  0.480878  1
  Al  Al109  1  0.841758  0.008591  0.558012  1
  Al  Al110  1  0.175072  0.675157  0.558014  1
  Al  Al111  1  0.235909  0.069511  0.506526  1
  Al  Al112  1  0.508252  0.341799  0.557997  1
  Al  Al113  1  0.569278  0.736206  0.506523  1
  Al  Al114  1  0.538809  0.039243  0.532392  1
  Al  Al115  1  0.902712  0.402763  0.506532  1
  Al  Al116  1  0.872251  0.705852  0.532368  1
  Al  Al117  1  0.205520  0.372414  0.532399  1
  Al  Al118  1  0.674910  0.175318  0.558014  1
  Al  Al119  1  0.008343  0.842004  0.558011  1
  Al  Al120  1  0.069279  0.236141  0.506526  1
  Al  Al121  1  0.341551  0.508500  0.557996  1
  Al  Al122  1  0.402531  0.902944  0.506532  1
  Al  Al123  1  0.372179  0.205755  0.532399  1
  Al  Al124  1  0.735973  0.569509  0.506522  1
  Al  Al125  1  0.705617  0.872487  0.532368  1
  Al  Al126  1  0.039008  0.539044  0.532392  1
  Al  Al127  1  0.872304  0.205674  0.532339  1
  Al  Al128  1  0.205436  0.872542  0.532338  1
  Al  Al129  1  0.175029  0.175278  0.557995  1
  Al  Al130  1  0.538799  0.539037  0.532258  1
  Al  Al131  1  0.508332  0.842054  0.557930  1
  Al  Al132  1  0.569205  0.236106  0.506538  1
  Al  Al133  1  0.841805  0.508581  0.557931  1
  Al  Al134  1  0.902591  0.902823  0.506523  1
  Al  Al135  1  0.235875  0.569436  0.506538  1
  Al  Al136  1  0.644655  0.978344  0.583887  1
  Al  Al137  1  0.978095  0.644902  0.583886  1
  Al  Al138  1  0.038824  0.039064  0.532275  1
  Al  Al139  1  0.402547  0.402778  0.506562  1
  Al  Al140  1  0.371991  0.705819  0.532251  1
  Al  Al141  1  0.341684  0.008738  0.558006  1
  Al  Al142  1  0.705580  0.372230  0.532252  1
  Al  Al143  1  0.675154  0.675401  0.557947  1
  Al  Al144  1  0.008490  0.341931  0.558006  1
  Al  Al145  1  0.750856  0.918084  0.635695  1
  Al  Al146  1  0.083794  0.584583  0.635676  1
  Al  Al147  1  0.144290  0.978579  0.583832  1
  Al  Al148  1  0.417025  0.251320  0.635919  1
  Al  Al149  1  0.477578  0.644984  0.583555  1
  Al  Al150  1  0.447422  0.947726  0.609353  1
  Al  Al151  1  0.811398  0.311312  0.583768  1
  Al  Al152  1  0.781121  0.614531  0.609312  1
  Al  Al153  1  0.114267  0.280815  0.609427  1
  Al  Al154  1  0.584329  0.084049  0.635677  1
  Al  Al155  1  0.917833  0.751110  0.635695  1
  Al  Al156  1  0.978324  0.144548  0.583835  1
  Al  Al157  1  0.251071  0.417281  0.635920  1
  Al  Al158  1  0.311058  0.811652  0.583767  1
  Al  Al159  1  0.280546  0.114533  0.609426  1
  Al  Al160  1  0.644729  0.477835  0.583557  1
  Al  Al161  1  0.614267  0.781384  0.609310  1
  Al  Al162  1  0.947461  0.447686  0.609352  1
  Al  Al163  1  0.780509  0.114179  0.609339  1
  Al  Al164  1  0.113911  0.780776  0.609338  1
  Al  Al165  1  0.084080  0.084350  0.636022  1
  Al  Al166  1  0.447001  0.447270  0.609357  1
  Al  Al167  1  0.417079  0.750957  0.635126  1
  Al  Al168  1  0.477916  0.145100  0.584056  1
  Al  Al169  1  0.750689  0.417346  0.635127  1
  Al  Al170  1  0.811568  0.811814  0.583975  1
  Al  Al171  1  0.144855  0.478164  0.584057  1
  Al  Al172  1  0.554782  0.888097  0.660459  1
  Al  Al173  1  0.887822  0.555057  0.660459  1
  Al  Al174  1  0.947549  0.947812  0.609512  1
  Al  Al175  1  0.311283  0.311530  0.583983  1
  Al  Al176  1  0.280740  0.614028  0.609479  1
  Al  Al177  1  0.249159  0.918322  0.635097  1
  Al  Al178  1  0.613761  0.281003  0.609478  1
  Al  Al179  1  0.583555  0.583836  0.634387  1
  Al  Al180  1  0.918050  0.249437  0.635103  1
  Al  Al181  1  0.664538  0.828805  0.711326  1
  Al  Al182  1  0.997985  0.496133  0.710983  1
  Al  Al183  1  0.054571  0.887451  0.660373  1
  Al  Al184  1  0.329660  0.162964  0.710826  1
  Al  Al185  1  0.388076  0.554208  0.660451  1
  Al  Al186  1  0.357252  0.860933  0.684809  1
  Al  Al187  1  0.720686  0.220760  0.660272  1
  Al  Al188  1  0.690990  0.528061  0.684936  1
  Al  Al189  1  0.026891  0.194303  0.687344  1
  Al  Al190  1  0.495809  0.998272  0.710982  1
  Al  Al191  1  0.828485  0.664825  0.711325  1
  Al  Al192  1  0.887157  0.054855  0.660372  1
  Al  Al193  1  0.162653  0.329975  0.710825  1
  Al  Al194  1  0.220466  0.720974  0.660272  1
  Al  Al195  1  0.194031  0.027162  0.687344  1
  Al  Al196  1  0.553916  0.388354  0.660448  1
  Al  Al197  1  0.527781  0.691288  0.684946  1
  Al  Al198  1  0.860656  0.357545  0.684820  1
  Al  Al199  1  0.693774  0.026609  0.687672  1
  Al  Al200  1  0.026357  0.694028  0.687673  1
  Al  Al201  1  0.996483  0.996819  0.710507  1
  Al  Al202  1  0.361585  0.361831  0.687983  1
  Al  Al203  1  0.328321  0.661010  0.710750  1
  Al  Al204  1  0.387558  0.054498  0.660185  1
  Al  Al205  1  0.660668  0.328658  0.710750  1
  Al  Al206  1  0.721581  0.721861  0.660325  1
  Al  Al207  1  0.054217  0.387846  0.660186  1
  Al  Al208  1  0.464200  0.799113  0.732910  1
  Al  Al209  1  0.798770  0.464541  0.732910  1
  Al  Al210  1  0.860499  0.860746  0.686951  1
  Al  Al211  1  0.221163  0.221448  0.660430  1
  Al  Al212  1  0.192943  0.526365  0.686675  1
  Al  Al213  1  0.166078  0.830719  0.711108  1
  Al  Al214  1  0.526111  0.193187  0.686677  1
  Al  Al215  1  0.501139  0.501468  0.711900  1
  Al  Al216  1  0.830381  0.166405  0.711105  1
