# generated using pymatgen
data_Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.65500380
_cell_length_b   12.65411831
_cell_length_c   47.61912021
_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   7587.40270217
_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  0.150442  0.482479  0.298501  1
  Al  Al2  1  0.482941  0.149195  0.299164  1
  Al  Al3  1  0.455693  0.456610  0.325821  1
  Al  Al4  1  0.816640  0.820283  0.299513  1
  Al  Al5  1  0.786798  0.121460  0.322756  1
  Al  Al6  1  0.758623  0.426490  0.349378  1
  Al  Al7  1  0.121324  0.788392  0.325660  1
  Al  Al8  1  0.183273  0.183467  0.277989  1
  Al  Al9  1  0.511458  0.843019  0.277636  1
  Al  Al10  1  0.925235  0.258966  0.349219  1
  Al  Al11  1  0.345003  0.012854  0.277379  1
  Al  Al12  1  0.316927  0.318227  0.299911  1
  Al  Al13  1  0.680635  0.677820  0.278333  1
  Al  Al14  1  0.650670  0.984915  0.298571  1
  Al  Al15  1  0.623371  0.286474  0.324933  1
  Al  Al16  1  0.982195  0.650983  0.298712  1
  Al  Al17  1  0.953740  0.958097  0.325059  1
  Al  Al18  1  0.287361  0.621499  0.325349  1
  Al  Al19  1  0.119002  0.289950  0.324710  1
  Al  Al20  1  0.456099  0.955520  0.325424  1
  Al  Al21  1  0.513617  0.345144  0.278246  1
  Al  Al22  1  0.790526  0.621618  0.324781  1
  Al  Al23  1  0.758480  0.926011  0.348968  1
  Al  Al24  1  0.816985  0.320430  0.299687  1
  Al  Al25  1  0.182618  0.685466  0.277210  1
  Al  Al26  1  0.152105  0.983469  0.300082  1
  Al  Al27  1  0.481334  0.649480  0.299572  1
  Al  Al28  1  0.953689  0.454318  0.322682  1
  Al  Al29  1  0.290492  0.122818  0.325740  1
  Al  Al30  1  0.350558  0.514893  0.277141  1
  Al  Al31  1  0.621893  0.790489  0.325644  1
  Al  Al32  1  0.591714  0.092076  0.348915  1
  Al  Al33  1  0.649304  0.484115  0.300074  1
  Al  Al34  1  0.014600  0.853842  0.277966  1
  Al  Al35  1  0.984821  0.149117  0.299566  1
  Al  Al36  1  0.315615  0.816759  0.299524  1
  Al  Al37  1  0.060507  0.396970  0.374267  1
  Al  Al38  1  0.395630  0.063083  0.375110  1
  Al  Al39  1  0.364747  0.365072  0.400315  1
  Al  Al40  1  0.730112  0.728509  0.374507  1
  Al  Al41  1  0.698275  0.032276  0.400283  1
  Al  Al42  1  0.667928  0.334342  0.426343  1
  Al  Al43  1  0.030995  0.698553  0.400230  1
  Al  Al44  1  0.093271  0.093052  0.348967  1
  Al  Al45  1  0.425390  0.759283  0.348494  1
  Al  Al46  1  0.834090  0.168248  0.426435  1
  Al  Al47  1  0.259213  0.926074  0.348714  1
  Al  Al48  1  0.227693  0.230662  0.374547  1
  Al  Al49  1  0.592482  0.593761  0.348681  1
  Al  Al50  1  0.562495  0.896034  0.375079  1
  Al  Al51  1  0.531882  0.198725  0.400283  1
  Al  Al52  1  0.896518  0.561515  0.374282  1
  Al  Al53  1  0.864574  0.865568  0.400206  1
  Al  Al54  1  0.197453  0.531712  0.400315  1
  Al  Al55  1  0.031176  0.198864  0.400340  1
  Al  Al56  1  0.364706  0.865155  0.400484  1
  Al  Al57  1  0.425759  0.260029  0.348601  1
  Al  Al58  1  0.698212  0.532063  0.400357  1
  Al  Al59  1  0.667889  0.834628  0.426514  1
  Al  Al60  1  0.729979  0.228278  0.374226  1
  Al  Al61  1  0.091678  0.592367  0.348305  1
  Al  Al62  1  0.061103  0.897146  0.374606  1
  Al  Al63  1  0.395624  0.562733  0.375107  1
  Al  Al64  1  0.864676  0.365287  0.400310  1
  Al  Al65  1  0.197869  0.032085  0.400455  1
  Al  Al66  1  0.258292  0.426410  0.348620  1
  Al  Al67  1  0.531657  0.698610  0.400425  1
  Al  Al68  1  0.501102  1.001553  0.426710  1
  Al  Al69  1  0.563386  0.395212  0.374537  1
  Al  Al70  1  0.925985  0.759578  0.348592  1
  Al  Al71  1  0.894293  0.064013  0.374280  1
  Al  Al72  1  0.228506  0.729381  0.375059  1
  Al  Al73  1  0.970159  0.304271  0.452399  1
  Al  Al74  1  0.303566  0.970902  0.452488  1
  Al  Al75  1  0.273046  0.273881  0.478425  1
  Al  Al76  1  0.637047  0.637505  0.452450  1
  Al  Al77  1  0.606719  0.940473  0.478492  1
  Al  Al78  1  0.576245  0.243344  0.504368  1
  Al  Al79  1  0.939761  0.607129  0.478420  1
  Al  Al80  1  1.000157  1.001857  0.426375  1
  Al  Al81  1  0.334134  0.667988  0.426758  1
  Al  Al82  1  0.742809  0.076813  0.504372  1
  Al  Al83  1  0.166967  0.835000  0.426587  1
  Al  Al84  1  0.136754  0.137627  0.452430  1
  Al  Al85  1  0.501242  0.500958  0.426552  1
  Al  Al86  1  0.470386  0.804187  0.452504  1
  Al  Al87  1  0.439893  0.107234  0.478493  1
  Al  Al88  1  0.803578  0.470829  0.452373  1
  Al  Al89  1  0.773277  0.773756  0.478423  1
  Al  Al90  1  0.106408  0.440477  0.478433  1
  Al  Al91  1  0.939685  0.107322  0.478445  1
  Al  Al92  1  0.273079  0.773922  0.478482  1
  Al  Al93  1  0.333957  0.168337  0.426549  1
  Al  Al94  1  0.606805  0.440209  0.478431  1
  Al  Al95  1  0.576276  0.743345  0.504365  1
  Al  Al96  1  0.637055  0.137587  0.452402  1
  Al  Al97  1  1.000547  0.501342  0.426464  1
  Al  Al98  1  0.970019  0.804270  0.452352  1
  Al  Al99  1  0.303517  0.470698  0.452395  1
  Al  Al100  1  0.773251  0.273819  0.478448  1
  Al  Al101  1  0.106199  0.940716  0.478420  1
  Al  Al102  1  0.166925  0.334917  0.426393  1
  Al  Al103  1  0.440050  0.606944  0.478473  1
  Al  Al104  1  0.409502  0.910165  0.504359  1
  Al  Al105  1  0.470408  0.304073  0.452407  1
  Al  Al106  1  0.834312  0.667797  0.426348  1
  Al  Al107  1  0.803528  0.970987  0.452364  1
  Al  Al108  1  0.136714  0.637519  0.452408  1
  Al  Al109  1  0.878919  0.213206  0.530481  1
  Al  Al110  1  0.212185  0.879927  0.530286  1
  Al  Al111  1  0.181684  0.182765  0.556291  1
  Al  Al112  1  0.546091  0.546044  0.530332  1
  Al  Al113  1  0.515537  0.849421  0.556218  1
  Al  Al114  1  0.485346  0.152042  0.582464  1
  Al  Al115  1  0.848673  0.515579  0.556349  1
  Al  Al116  1  0.909310  0.910163  0.504324  1
  Al  Al117  1  0.242716  0.576678  0.504284  1
  Al  Al118  1  0.651919  0.985764  0.582709  1
  Al  Al119  1  0.075935  0.743445  0.504292  1
  Al  Al120  1  0.045384  0.046695  0.530377  1
  Al  Al121  1  0.409498  0.409939  0.504308  1
  Al  Al122  1  0.379193  0.712997  0.530279  1
  Al  Al123  1  0.348563  0.016210  0.556203  1
  Al  Al124  1  0.712683  0.379462  0.530462  1
  Al  Al125  1  0.682236  0.682395  0.556266  1
  Al  Al126  1  0.015031  0.349147  0.556366  1
  Al  Al127  1  0.848523  0.015994  0.556324  1
  Al  Al128  1  0.181789  0.682499  0.556097  1
  Al  Al129  1  0.242631  0.076884  0.504349  1
  Al  Al130  1  0.515384  0.349148  0.556247  1
  Al  Al131  1  0.485447  0.651654  0.582132  1
  Al  Al132  1  0.546006  0.046426  0.530433  1
  Al  Al133  1  0.909420  0.410036  0.504375  1
  Al  Al134  1  0.878950  0.713063  0.530355  1
  Al  Al135  1  0.212296  0.379644  0.530343  1
  Al  Al136  1  0.682111  0.182621  0.556400  1
  Al  Al137  1  0.015059  0.849281  0.556180  1
  Al  Al138  1  0.075951  0.243498  0.504373  1
  Al  Al139  1  0.348568  0.515779  0.556110  1
  Al  Al140  1  0.318092  0.818973  0.582093  1
  Al  Al141  1  0.379151  0.213015  0.530357  1
  Al  Al142  1  0.742902  0.576588  0.504362  1
  Al  Al143  1  0.712476  0.879828  0.530417  1
  Al  Al144  1  0.045584  0.546309  0.530350  1
  Al  Al145  1  0.787388  0.121265  0.608432  1
  Al  Al146  1  0.120336  0.788026  0.607940  1
  Al  Al147  1  0.088701  0.092397  0.634313  1
  Al  Al148  1  0.454171  0.454558  0.608039  1
  Al  Al149  1  0.424409  0.756485  0.633626  1
  Al  Al150  1  0.393768  0.060607  0.659452  1
  Al  Al151  1  0.757117  0.423891  0.635290  1
  Al  Al152  1  0.817892  0.819027  0.582466  1
  Al  Al153  1  0.151085  0.485106  0.582321  1
  Al  Al154  1  0.559562  0.894366  0.659100  1
  Al  Al155  1  0.984179  0.652074  0.582311  1
  Al  Al156  1  0.953648  0.954720  0.608160  1
  Al  Al157  1  0.318245  0.318397  0.582297  1
  Al  Al158  1  0.287290  0.621083  0.607945  1
  Al  Al159  1  0.255837  0.925261  0.633735  1
  Al  Al160  1  0.620886  0.288093  0.608316  1
  Al  Al161  1  0.591821  0.589551  0.634110  1
  Al  Al162  1  0.923005  0.257577  0.635468  1
  Al  Al163  1  0.757003  0.924840  0.635070  1
  Al  Al164  1  0.088755  0.591235  0.633879  1
  Al  Al165  1  0.150756  0.986080  0.582239  1
  Al  Al166  1  0.425214  0.256276  0.634316  1
  Al  Al167  1  0.392865  0.560429  0.659226  1
  Al  Al168  1  0.454334  0.955277  0.608152  1
  Al  Al169  1  0.818228  0.318635  0.582907  1
  Al  Al170  1  0.787614  0.620737  0.608288  1
  Al  Al171  1  0.120076  0.287937  0.608366  1
  Al  Al172  1  0.590857  0.091083  0.635041  1
  Al  Al173  1  0.921966  0.758816  0.634278  1
  Al  Al174  1  0.984075  0.152625  0.582609  1
  Al  Al175  1  0.257793  0.422723  0.633979  1
  Al  Al176  1  0.226308  0.726824  0.659037  1
  Al  Al177  1  0.287286  0.121768  0.608244  1
  Al  Al178  1  0.652188  0.484759  0.582480  1
  Al  Al179  1  0.621295  0.788215  0.608158  1
  Al  Al180  1  0.953523  0.453870  0.608436  1
  Al  Al181  1  0.698204  0.031206  0.685324  1
  Al  Al182  1  0.029025  0.699333  0.683297  1
  Al  Al183  1  0.005763  0.999667  0.708151  1
  Al  Al184  1  0.367117  0.364587  0.683763  1
  Al  Al185  1  0.334876  0.671691  0.707027  1
  Al  Al186  1  0.303144  0.968812  0.729783  1
  Al  Al187  1  0.664311  0.335989  0.707292  1
  Al  Al188  1  0.727220  0.728253  0.658787  1
  Al  Al189  1  0.060311  0.393617  0.659133  1
  Al  Al190  1  0.466244  0.799618  0.730135  1
  Al  Al191  1  0.893910  0.560581  0.658947  1
  Al  Al192  1  0.866369  0.866041  0.685458  1
  Al  Al193  1  0.227884  0.228064  0.659117  1
  Al  Al194  1  0.196254  0.530185  0.682085  1
  Al  Al195  1  0.169350  0.835575  0.707433  1
  Al  Al196  1  0.530456  0.199061  0.685458  1
  Al  Al197  1  0.502926  0.508196  0.708440  1
  Al  Al198  1  0.834079  0.167510  0.706934  1
  Al  Al199  1  0.665878  0.832908  0.707923  1
  Al  Al200  1  1.004285  0.501906  0.708269  1
  Al  Al201  1  0.060653  0.894019  0.658651  1
  Al  Al202  1  0.334074  0.170104  0.708728  1
  Al  Al203  1  0.305935  0.476944  0.729503  1
  Al  Al204  1  0.363798  0.864917  0.681949  1
  Al  Al205  1  0.725790  0.227265  0.658654  1
  Al  Al206  1  0.699238  0.534511  0.685201  1
  Al  Al207  1  0.032873  0.197999  0.685410  1
  Al  Al208  1  0.501758  1.001320  0.708278  1
  Al  Al209  1  0.836063  0.668753  0.708170  1
  Al  Al210  1  0.893931  0.060010  0.658755  1
  Al  Al211  1  0.168416  0.335232  0.708447  1
  Al  Al212  1  0.142124  0.643883  0.729654  1
  Al  Al213  1  0.197371  0.034161  0.683170  1
  Al  Al214  1  0.559532  0.395319  0.658834  1
  Al  Al215  1  0.532541  0.697385  0.682945  1
  Al  Al216  1  0.864725  0.366228  0.685451  1
