# generated using pymatgen
data_Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.85459856
_cell_length_b   13.84445102
_cell_length_c   49.77358996
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   113.09346927
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al
_chemical_formula_sum   Al216
_cell_volume   6880.39129187
_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  0.437856  0.137539  0.291496  1
  Al  Al2  1  0.936996  0.137531  0.291498  1
  Al  Al3  1  0.573452  0.410116  0.324924  1
  Al  Al4  1  0.006355  0.775390  0.306974  1
  Al  Al5  1  0.368038  0.498725  0.276342  1
  Al  Al6  1  0.505936  0.774547  0.306591  1
  Al  Al7  1  0.902935  0.319104  0.283867  1
  Al  Al8  1  0.401914  0.317356  0.283710  1
  Al  Al9  1  0.039041  0.593679  0.314799  1
  Al  Al10  1  0.471831  0.956240  0.299310  1
  Al  Al11  1  0.541123  0.594709  0.315706  1
  Al  Al12  1  0.971590  0.956312  0.299344  1
  Al  Al13  1  0.653513  0.319124  0.283866  1
  Al  Al14  1  0.152766  0.317352  0.283711  1
  Al  Al15  1  0.791975  0.593680  0.314805  1
  Al  Al16  1  0.222037  0.956315  0.299342  1
  Al  Al17  1  0.290927  0.594708  0.315705  1
  Al  Al18  1  0.721721  0.956239  0.299312  1
  Al  Al19  1  0.687362  0.137412  0.291475  1
  Al  Al20  1  0.187065  0.136815  0.291503  1
  Al  Al21  1  0.118801  0.497473  0.276695  1
  Al  Al22  1  0.255902  0.774536  0.306760  1
  Al  Al23  1  0.616027  0.497485  0.276696  1
  Al  Al24  1  0.755956  0.774536  0.306762  1
  Al  Al25  1  0.141669  0.045988  0.340658  1
  Al  Al26  1  0.641773  0.046195  0.340603  1
  Al  Al27  1  0.278488  0.319605  0.374359  1
  Al  Al28  1  0.711224  0.683577  0.356762  1
  Al  Al29  1  0.074014  0.410113  0.324924  1
  Al  Al30  1  0.209709  0.683576  0.356757  1
  Al  Al31  1  0.608213  0.228399  0.332684  1
  Al  Al32  1  0.107447  0.227692  0.332716  1
  Al  Al33  1  0.745224  0.502494  0.365443  1
  Al  Al34  1  0.176072  0.864544  0.348470  1
  Al  Al35  1  0.244900  0.502510  0.365790  1
  Al  Al36  1  0.675828  0.864335  0.348388  1
  Al  Al37  1  0.357597  0.227693  0.332715  1
  Al  Al38  1  0.857536  0.228392  0.332686  1
  Al  Al39  1  0.494977  0.502512  0.365791  1
  Al  Al40  1  0.925825  0.864542  0.348473  1
  Al  Al41  1  0.994631  0.502494  0.365440  1
  Al  Al42  1  0.425864  0.864335  0.348385  1
  Al  Al43  1  0.391956  0.046174  0.340629  1
  Al  Al44  1  0.891569  0.046170  0.340632  1
  Al  Al45  1  0.825170  0.412988  0.323526  1
  Al  Al46  1  0.960498  0.683637  0.356702  1
  Al  Al47  1  0.323785  0.410216  0.324756  1
  Al  Al48  1  0.460723  0.684086  0.357022  1
  Al  Al49  1  0.846176  0.955147  0.390501  1
  Al  Al50  1  0.346348  0.955150  0.390495  1
  Al  Al51  1  0.982738  0.228155  0.424249  1
  Al  Al52  1  0.414815  0.592240  0.407425  1
  Al  Al53  1  0.778933  0.320497  0.373944  1
  Al  Al54  1  0.914758  0.592144  0.407236  1
  Al  Al55  1  0.312320  0.137168  0.382492  1
  Al  Al56  1  0.812272  0.137448  0.382445  1
  Al  Al57  1  0.448908  0.410378  0.415937  1
  Al  Al58  1  0.880532  0.773571  0.398748  1
  Al  Al59  1  0.948782  0.410399  0.415808  1
  Al  Al60  1  0.380340  0.773599  0.398770  1
  Al  Al61  1  0.062217  0.137165  0.382495  1
  Al  Al62  1  0.562553  0.137451  0.382442  1
  Al  Al63  1  0.198856  0.410374  0.415937  1
  Al  Al64  1  0.630641  0.773599  0.398776  1
  Al  Al65  1  0.699000  0.410403  0.415809  1
  Al  Al66  1  0.130411  0.773571  0.398743  1
  Al  Al67  1  0.096237  0.955104  0.390528  1
  Al  Al68  1  0.596248  0.955114  0.390465  1
  Al  Al69  1  0.528582  0.319670  0.374371  1
  Al  Al70  1  0.664938  0.592176  0.407317  1
  Al  Al71  1  0.028457  0.319667  0.374372  1
  Al  Al72  1  0.164616  0.592172  0.407311  1
  Al  Al73  1  0.550752  0.864091  0.440636  1
  Al  Al74  1  0.050717  0.864056  0.440648  1
  Al  Al75  1  0.687055  0.136681  0.474224  1
  Al  Al76  1  0.118956  0.500624  0.457592  1
  Al  Al77  1  0.482809  0.228161  0.424244  1
  Al  Al78  1  0.619075  0.500637  0.457601  1
  Al  Al79  1  0.016644  0.045952  0.432423  1
  Al  Al80  1  0.516759  0.046026  0.432381  1
  Al  Al81  1  0.153034  0.318692  0.466021  1
  Al  Al82  1  0.584961  0.682408  0.449111  1
  Al  Al83  1  0.653096  0.318722  0.465972  1
  Al  Al84  1  0.084835  0.682365  0.449060  1
  Al  Al85  1  0.766667  0.046022  0.432388  1
  Al  Al86  1  0.266694  0.045956  0.432416  1
  Al  Al87  1  0.903026  0.318713  0.465976  1
  Al  Al88  1  0.334858  0.682404  0.449100  1
  Al  Al89  1  0.403068  0.318701  0.466017  1
  Al  Al90  1  0.834914  0.682369  0.449071  1
  Al  Al91  1  0.800745  0.864082  0.440651  1
  Al  Al92  1  0.300733  0.864085  0.440636  1
  Al  Al93  1  0.232753  0.228120  0.424260  1
  Al  Al94  1  0.369033  0.500645  0.457641  1
  Al  Al95  1  0.732866  0.228339  0.424144  1
  Al  Al96  1  0.869005  0.500628  0.457558  1
  Al  Al97  1  0.255075  0.772771  0.490837  1
  Al  Al98  1  0.755112  0.772773  0.490874  1
  Al  Al99  1  0.391329  0.045215  0.524277  1
  Al  Al100  1  0.823287  0.409176  0.507774  1
  Al  Al101  1  0.187011  0.136633  0.474263  1
  Al  Al102  1  0.323311  0.409174  0.507807  1
  Al  Al103  1  0.721029  0.954644  0.482487  1
  Al  Al104  1  0.221014  0.954634  0.482480  1
  Al  Al105  1  0.857327  0.227233  0.516086  1
  Al  Al106  1  0.289198  0.590979  0.499342  1
  Al  Al107  1  0.357331  0.227248  0.516086  1
  Al  Al108  1  0.789197  0.590984  0.499342  1
  Al  Al109  1  0.471054  0.954654  0.482468  1
  Al  Al110  1  0.971005  0.954624  0.482499  1
  Al  Al111  1  0.607366  0.227258  0.516069  1
  Al  Al112  1  0.039157  0.590966  0.499319  1
  Al  Al113  1  0.107307  0.227224  0.516103  1
  Al  Al114  1  0.539249  0.590997  0.499365  1
  Al  Al115  1  0.505122  0.772784  0.490860  1
  Al  Al116  1  1.005062  0.772755  0.490849  1
  Al  Al117  1  0.937003  0.136640  0.474258  1
  Al  Al118  1  0.073270  0.409158  0.507788  1
  Al  Al119  1  0.437054  0.136655  0.474241  1
  Al  Al120  1  0.573325  0.409187  0.507791  1
  Al  Al121  1  0.959309  0.681314  0.541078  1
  Al  Al122  1  0.459447  0.681325  0.541089  1
  Al  Al123  1  0.095444  0.953500  0.574390  1
  Al  Al124  1  0.527677  0.317897  0.557930  1
  Al  Al125  1  0.891284  0.045155  0.524323  1
  Al  Al126  1  0.027644  0.317862  0.557959  1
  Al  Al127  1  0.425343  0.863184  0.532592  1
  Al  Al128  1  0.925281  0.863159  0.532646  1
  Al  Al129  1  0.561701  0.135844  0.566090  1
  Al  Al130  1  0.993483  0.499609  0.549577  1
  Al  Al131  1  0.061561  0.135741  0.566137  1
  Al  Al132  1  0.493603  0.499652  0.549617  1
  Al  Al133  1  0.175264  0.863175  0.532593  1
  Al  Al134  1  0.675318  0.863168  0.532645  1
  Al  Al135  1  0.311593  0.135840  0.566097  1
  Al  Al136  1  0.743501  0.499649  0.549606  1
  Al  Al137  1  0.811620  0.135745  0.566131  1
  Al  Al138  1  0.243553  0.499612  0.549587  1
  Al  Al139  1  0.209363  0.681310  0.541043  1
  Al  Al140  1  0.709401  0.681346  0.541133  1
  Al  Al141  1  0.641328  0.045180  0.524301  1
  Al  Al142  1  0.777683  0.317892  0.557939  1
  Al  Al143  1  0.141273  0.045167  0.524315  1
  Al  Al144  1  0.277649  0.317889  0.557953  1
  Al  Al145  1  0.663732  0.589999  0.591511  1
  Al  Al146  1  0.163662  0.589874  0.591335  1
  Al  Al147  1  0.799377  0.861284  0.624582  1
  Al  Al148  1  0.231979  0.226710  0.607955  1
  Al  Al149  1  0.595508  0.953506  0.574387  1
  Al  Al150  1  0.732193  0.226713  0.607949  1
  Al  Al151  1  0.129355  0.771510  0.582737  1
  Al  Al152  1  0.629518  0.771525  0.582888  1
  Al  Al153  1  0.265833  0.044514  0.615999  1
  Al  Al154  1  0.697918  0.408606  0.599871  1
  Al  Al155  1  0.765861  0.044155  0.616058  1
  Al  Al156  1  0.198054  0.408619  0.599883  1
  Al  Al157  1  0.879463  0.771521  0.582887  1
  Al  Al158  1  0.379605  0.771513  0.582739  1
  Al  Al159  1  0.015755  0.044153  0.616060  1
  Al  Al160  1  0.448151  0.408606  0.599876  1
  Al  Al161  1  0.516148  0.044517  0.615996  1
  Al  Al162  1  0.948019  0.408619  0.599878  1
  Al  Al163  1  0.913497  0.589905  0.591398  1
  Al  Al164  1  0.413866  0.589908  0.591405  1
  Al  Al165  1  0.345584  0.953717  0.574266  1
  Al  Al166  1  0.482079  0.226693  0.607915  1
  Al  Al167  1  0.845452  0.953456  0.574408  1
  Al  Al168  1  0.982048  0.226641  0.607984  1
  Al  Al169  1  0.368834  0.498811  0.641913  1
  Al  Al170  1  0.867454  0.498811  0.641908  1
  Al  Al171  1  0.502838  0.768983  0.674881  1
  Al  Al172  1  0.936576  0.135669  0.657808  1
  Al  Al173  1  0.299896  0.862326  0.624074  1
  Al  Al174  1  0.436678  0.135873  0.657752  1
  Al  Al175  1  0.833486  0.679612  0.633383  1
  Al  Al176  1  0.333811  0.679419  0.633019  1
  Al  Al177  1  0.970230  0.953186  0.665721  1
  Al  Al178  1  0.402488  0.317481  0.649851  1
  Al  Al179  1  0.471164  0.954034  0.665689  1
  Al  Al180  1  0.902704  0.317681  0.649934  1
  Al  Al181  1  0.583603  0.679612  0.633384  1
  Al  Al182  1  0.083081  0.679420  0.633016  1
  Al  Al183  1  0.720439  0.953187  0.665720  1
  Al  Al184  1  0.152457  0.317679  0.649937  1
  Al  Al185  1  0.220349  0.954028  0.665691  1
  Al  Al186  1  0.652477  0.317482  0.649849  1
  Al  Al187  1  0.618392  0.499305  0.642120  1
  Al  Al188  1  0.118239  0.498999  0.641933  1
  Al  Al189  1  0.049389  0.861364  0.624579  1
  Al  Al190  1  0.186463  0.135861  0.657783  1
  Al  Al191  1  0.549444  0.861366  0.624578  1
  Al  Al192  1  0.686885  0.135865  0.657780  1
  Al  Al193  1  0.072645  0.407774  0.691526  1
  Al  Al194  1  0.572347  0.407171  0.691171  1
  Al  Al195  1  0.211970  0.686455  0.721101  1
  Al  Al196  1  0.641747  0.045250  0.706865  1
  Al  Al197  1  1.003631  0.768983  0.674880  1
  Al  Al198  1  0.141018  0.045243  0.706867  1
  Al  Al199  1  0.538716  0.589237  0.684017  1
  Al  Al200  1  0.036108  0.588164  0.683407  1
  Al  Al201  1  0.675223  0.863521  0.714236  1
  Al  Al202  1  0.106643  0.226073  0.699054  1
  Al  Al203  1  0.175784  0.864736  0.714419  1
  Al  Al204  1  0.606722  0.225945  0.699020  1
  Al  Al205  1  0.289558  0.588162  0.683412  1
  Al  Al206  1  0.788028  0.589237  0.684016  1
  Al  Al207  1  0.426454  0.864753  0.714417  1
  Al  Al208  1  0.856954  0.226076  0.699052  1
  Al  Al209  1  0.925785  0.863518  0.714236  1
  Al  Al210  1  0.356746  0.225944  0.699021  1
  Al  Al211  1  0.322510  0.407012  0.691310  1
  Al  Al212  1  0.822023  0.407013  0.691308  1
  Al  Al213  1  0.753264  0.769040  0.674748  1
  Al  Al214  1  0.891113  0.044709  0.706861  1
  Al  Al215  1  0.254910  0.772335  0.673262  1
  Al  Al216  1  0.391255  0.044997  0.706846  1
