# generated using pymatgen
data_Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.67193651
_cell_length_b   12.67397622
_cell_length_c   47.90030040
_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   7654.40981685
_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  0.929548  0.263454  0.342208  1
  Al  Al2  1  0.351385  0.024590  0.270713  1
  Al  Al3  1  0.323518  0.322589  0.291198  1
  Al  Al4  1  0.689409  0.687465  0.271810  1
  Al  Al5  1  0.654361  0.988699  0.291785  1
  Al  Al6  1  0.630034  0.292602  0.317266  1
  Al  Al7  1  0.991754  0.657805  0.291305  1
  Al  Al8  1  0.957763  0.965886  0.317642  1
  Al  Al9  1  0.292204  0.628729  0.316966  1
  Al  Al10  1  0.158771  0.492489  0.291183  1
  Al  Al11  1  0.492890  0.157880  0.290979  1
  Al  Al12  1  0.463806  0.463812  0.318893  1
  Al  Al13  1  0.822916  0.827925  0.291545  1
  Al  Al14  1  0.790717  0.125887  0.313883  1
  Al  Al15  1  0.764545  0.431258  0.342521  1
  Al  Al16  1  0.130543  0.791124  0.317258  1
  Al  Al17  1  0.189867  0.185589  0.270615  1
  Al  Al18  1  0.429541  0.763581  0.342420  1
  Al  Al19  1  0.959543  0.459239  0.314306  1
  Al  Al20  1  0.295840  0.129013  0.319032  1
  Al  Al21  1  0.359260  0.518809  0.270669  1
  Al  Al22  1  0.625212  0.797188  0.317661  1
  Al  Al23  1  0.596707  0.097156  0.342340  1
  Al  Al24  1  0.659876  0.490994  0.291228  1
  Al  Al25  1  0.019594  0.855745  0.271750  1
  Al  Al26  1  0.990484  0.158275  0.291412  1
  Al  Al27  1  0.323206  0.823095  0.290677  1
  Al  Al28  1  0.124580  0.297407  0.316824  1
  Al  Al29  1  0.461270  0.958165  0.316923  1
  Al  Al30  1  0.519592  0.357251  0.270746  1
  Al  Al31  1  0.799468  0.626638  0.317508  1
  Al  Al32  1  0.763353  0.931779  0.342566  1
  Al  Al33  1  0.823349  0.324821  0.292333  1
  Al  Al34  1  0.096251  0.596193  0.342246  1
  Al  Al35  1  0.155960  0.990002  0.291637  1
  Al  Al36  1  0.491054  0.661256  0.290926  1
  Al  Al37  1  0.838941  0.172863  0.419761  1
  Al  Al38  1  0.263730  0.930709  0.342289  1
  Al  Al39  1  0.232754  0.235428  0.368410  1
  Al  Al40  1  0.598843  0.598718  0.342202  1
  Al  Al41  1  0.566765  0.900620  0.368678  1
  Al  Al42  1  0.536508  0.203366  0.393945  1
  Al  Al43  1  0.901242  0.566508  0.368007  1
  Al  Al44  1  0.869718  0.870250  0.393853  1
  Al  Al45  1  0.202535  0.536188  0.393807  1
  Al  Al46  1  0.065359  0.400869  0.367720  1
  Al  Al47  1  0.401133  0.066647  0.368484  1
  Al  Al48  1  0.369872  0.370132  0.393947  1
  Al  Al49  1  0.734336  0.734128  0.367916  1
  Al  Al50  1  0.702863  0.036885  0.393952  1
  Al  Al51  1  0.672799  0.339151  0.419723  1
  Al  Al52  1  0.036023  0.703436  0.393809  1
  Al  Al53  1  0.097518  0.098544  0.342340  1
  Al  Al54  1  0.338962  0.672680  0.419903  1
  Al  Al55  1  0.869448  0.369816  0.393789  1
  Al  Al56  1  0.202822  0.036744  0.393884  1
  Al  Al57  1  0.264352  0.430853  0.342169  1
  Al  Al58  1  0.536581  0.703243  0.393916  1
  Al  Al59  1  0.505764  0.006144  0.419984  1
  Al  Al60  1  0.568555  0.400227  0.368510  1
  Al  Al61  1  0.931388  0.765546  0.342143  1
  Al  Al62  1  0.899018  0.068475  0.367991  1
  Al  Al63  1  0.233117  0.733710  0.368601  1
  Al  Al64  1  0.036017  0.203520  0.393860  1
  Al  Al65  1  0.369391  0.869835  0.393996  1
  Al  Al66  1  0.431468  0.265133  0.342292  1
  Al  Al67  1  0.703332  0.537117  0.393938  1
  Al  Al68  1  0.672669  0.839270  0.419773  1
  Al  Al69  1  0.734257  0.232550  0.367759  1
  Al  Al70  1  0.005572  0.505990  0.419691  1
  Al  Al71  1  0.066691  0.900971  0.367809  1
  Al  Al72  1  0.399795  0.567998  0.368467  1
  Al  Al73  1  0.747239  0.080978  0.497102  1
  Al  Al74  1  0.171957  0.839655  0.419723  1
  Al  Al75  1  0.141628  0.142177  0.445453  1
  Al  Al76  1  0.505940  0.506112  0.419782  1
  Al  Al77  1  0.475129  0.808754  0.445536  1
  Al  Al78  1  0.444456  0.111631  0.471354  1
  Al  Al79  1  0.808461  0.475502  0.445470  1
  Al  Al80  1  0.777876  0.778191  0.471286  1
  Al  Al81  1  0.111069  0.444985  0.471287  1
  Al  Al82  1  0.975007  0.308880  0.445466  1
  Al  Al83  1  0.308318  0.975506  0.445523  1
  Al  Al84  1  0.277727  0.278258  0.471258  1
  Al  Al85  1  0.641856  0.642189  0.445530  1
  Al  Al86  1  0.611259  0.944850  0.471357  1
  Al  Al87  1  0.580587  0.247666  0.497125  1
  Al  Al88  1  0.944428  0.611589  0.471241  1
  Al  Al89  1  0.005482  0.006241  0.419529  1
  Al  Al90  1  0.247194  0.581006  0.497066  1
  Al  Al91  1  0.777866  0.278281  0.471338  1
  Al  Al92  1  0.111004  0.944988  0.471245  1
  Al  Al93  1  0.171972  0.339709  0.419692  1
  Al  Al94  1  0.444539  0.611510  0.471343  1
  Al  Al95  1  0.413901  0.914278  0.497087  1
  Al  Al96  1  0.475157  0.308837  0.445524  1
  Al  Al97  1  0.839169  0.672784  0.419602  1
  Al  Al98  1  0.808427  0.975545  0.445487  1
  Al  Al99  1  0.141602  0.642126  0.445437  1
  Al  Al100  1  0.944456  0.111562  0.471244  1
  Al  Al101  1  0.277720  0.778243  0.471296  1
  Al  Al102  1  0.338951  0.172863  0.419726  1
  Al  Al103  1  0.611249  0.444829  0.471301  1
  Al  Al104  1  0.580593  0.747623  0.497114  1
  Al  Al105  1  0.641798  0.142237  0.445557  1
  Al  Al106  1  0.913853  0.414361  0.497069  1
  Al  Al107  1  0.974996  0.808907  0.445453  1
  Al  Al108  1  0.308364  0.475448  0.445498  1
  Al  Al109  1  0.655590  0.989045  0.574623  1
  Al  Al110  1  0.080485  0.747621  0.497027  1
  Al  Al111  1  0.049812  0.050436  0.522795  1
  Al  Al112  1  0.413878  0.414280  0.497085  1
  Al  Al113  1  0.383345  0.717029  0.522893  1
  Al  Al114  1  0.352753  0.019780  0.548629  1
  Al  Al115  1  0.716644  0.383697  0.522910  1
  Al  Al116  1  0.686065  0.686406  0.548685  1
  Al  Al117  1  0.019215  0.353098  0.548622  1
  Al  Al118  1  0.883196  0.217095  0.522865  1
  Al  Al119  1  0.216615  0.883655  0.522797  1
  Al  Al120  1  0.185943  0.186532  0.548615  1
  Al  Al121  1  0.550003  0.550301  0.522865  1
  Al  Al122  1  0.519444  0.853109  0.548698  1
  Al  Al123  1  0.489114  0.155631  0.574428  1
  Al  Al124  1  0.852611  0.519784  0.548681  1
  Al  Al125  1  0.913833  0.914309  0.497049  1
  Al  Al126  1  0.155131  0.489175  0.574369  1
  Al  Al127  1  0.686075  0.186379  0.548699  1
  Al  Al128  1  0.019274  0.853049  0.548594  1
  Al  Al129  1  0.080479  0.247663  0.497038  1
  Al  Al130  1  0.352708  0.519838  0.548653  1
  Al  Al131  1  0.322121  0.822423  0.574426  1
  Al  Al132  1  0.383352  0.217043  0.522855  1
  Al  Al133  1  0.747219  0.580925  0.497082  1
  Al  Al134  1  0.716615  0.883724  0.522907  1
  Al  Al135  1  0.049823  0.550457  0.522850  1
  Al  Al136  1  0.852645  0.019741  0.548664  1
  Al  Al137  1  0.185914  0.686449  0.548628  1
  Al  Al138  1  0.247171  0.081008  0.497064  1
  Al  Al139  1  0.519469  0.353161  0.548714  1
  Al  Al140  1  0.489100  0.655577  0.574459  1
  Al  Al141  1  0.550068  0.050298  0.522907  1
  Al  Al142  1  0.821902  0.322503  0.574549  1
  Al  Al143  1  0.883205  0.717005  0.522813  1
  Al  Al144  1  0.216533  0.383777  0.522808  1
  Al  Al145  1  0.563554  0.896742  0.651811  1
  Al  Al146  1  0.988273  0.656135  0.574428  1
  Al  Al147  1  0.958209  0.958401  0.600199  1
  Al  Al148  1  0.322110  0.322607  0.574248  1
  Al  Al149  1  0.291199  0.625154  0.600204  1
  Al  Al150  1  0.259938  0.928639  0.625668  1
  Al  Al151  1  0.625048  0.291851  0.600342  1
  Al  Al152  1  0.595713  0.594417  0.626432  1
  Al  Al153  1  0.926735  0.261158  0.626235  1
  Al  Al154  1  0.791353  0.125036  0.600299  1
  Al  Al155  1  0.124564  0.791920  0.600207  1
  Al  Al156  1  0.094306  0.094666  0.625474  1
  Al  Al157  1  0.458537  0.459098  0.600345  1
  Al  Al158  1  0.428318  0.759858  0.625742  1
  Al  Al159  1  0.397342  0.064577  0.651862  1
  Al  Al160  1  0.759830  0.428778  0.626145  1
  Al  Al161  1  0.822130  0.822423  0.574391  1
  Al  Al162  1  0.062229  0.396569  0.651949  1
  Al  Al163  1  0.594381  0.094316  0.626342  1
  Al  Al164  1  0.926814  0.762736  0.626392  1
  Al  Al165  1  0.988402  0.156016  0.574378  1
  Al  Al166  1  0.261277  0.427288  0.625684  1
  Al  Al167  1  0.229604  0.730153  0.651859  1
  Al  Al168  1  0.291681  0.125451  0.600156  1
  Al  Al169  1  0.655500  0.489296  0.574460  1
  Al  Al170  1  0.625055  0.791766  0.600292  1
  Al  Al171  1  0.957739  0.458169  0.600213  1
  Al  Al172  1  0.762054  0.926811  0.626160  1
  Al  Al173  1  0.092517  0.595059  0.625641  1
  Al  Al174  1  0.155307  0.989142  0.574168  1
  Al  Al175  1  0.427955  0.261576  0.625550  1
  Al  Al176  1  0.396720  0.564433  0.651983  1
  Al  Al177  1  0.458250  0.958542  0.600268  1
  Al  Al178  1  0.729684  0.229740  0.652009  1
  Al  Al179  1  0.791623  0.625470  0.600362  1
  Al  Al180  1  0.124490  0.292043  0.600235  1
  Al  Al181  1  0.471205  0.809697  0.723536  1
  Al  Al182  1  0.896527  0.564028  0.651630  1
  Al  Al183  1  0.870355  0.869399  0.680268  1
  Al  Al184  1  0.231531  0.231705  0.651731  1
  Al  Al185  1  0.197265  0.531475  0.675259  1
  Al  Al186  1  0.168182  0.837406  0.703173  1
  Al  Al187  1  0.530529  0.204162  0.676893  1
  Al  Al188  1  0.502300  0.502797  0.702968  1
  Al  Al189  1  0.838156  0.167362  0.702606  1
  Al  Al190  1  0.703309  0.029400  0.676510  1
  Al  Al191  1  0.031037  0.702684  0.676886  1
  Al  Al192  1  0.006711  0.006587  0.702366  1
  Al  Al193  1  0.368868  0.366557  0.677185  1
  Al  Al194  1  0.337554  0.672698  0.702953  1
  Al  Al195  1  0.309686  0.970697  0.723438  1
  Al  Al196  1  0.669318  0.337482  0.702846  1
  Al  Al197  1  0.731524  0.731832  0.651944  1
  Al  Al198  1  0.971663  0.307822  0.722341  1
  Al  Al199  1  0.505111  0.005284  0.702515  1
  Al  Al200  1  0.837723  0.670465  0.701818  1
  Al  Al201  1  0.897718  0.063508  0.651586  1
  Al  Al202  1  0.170018  0.334030  0.703225  1
  Al  Al203  1  0.141479  0.638035  0.723405  1
  Al  Al204  1  0.199802  0.037121  0.677229  1
  Al  Al205  1  0.564821  0.399093  0.651906  1
  Al  Al206  1  0.536492  0.697879  0.677328  1
  Al  Al207  1  0.861604  0.368648  0.676644  1
  Al  Al208  1  0.670587  0.837012  0.702740  1
  Al  Al209  1  1.001195  0.504292  0.702923  1
  Al  Al210  1  0.064365  0.898130  0.651811  1
  Al  Al211  1  0.337865  0.172191  0.703474  1
  Al  Al212  1  0.301812  0.476477  0.723483  1
  Al  Al213  1  0.365231  0.866273  0.675119  1
  Al  Al214  1  0.641477  0.139541  0.722401  1
  Al  Al215  1  0.701529  0.536048  0.679845  1
  Al  Al216  1  0.035859  0.198098  0.676490  1
