# generated using pymatgen
data_Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.71112982
_cell_length_b   12.71791193
_cell_length_c   47.86652917
_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   7699.26915942
_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  0.110876  0.279990  0.328641  1
  Al  Al2  1  0.445490  0.945761  0.329016  1
  Al  Al3  1  0.505178  0.338490  0.277951  1
  Al  Al4  1  0.779100  0.612351  0.329164  1
  Al  Al5  1  0.837449  0.003850  0.278058  1
  Al  Al6  1  0.810214  0.307686  0.302404  1
  Al  Al7  1  0.172870  0.673040  0.277994  1
  Al  Al8  1  0.141190  0.974939  0.302746  1
  Al  Al9  1  0.475137  0.641697  0.302776  1
  Al  Al10  1  0.946605  0.444273  0.328653  1
  Al  Al11  1  0.278971  0.112478  0.329162  1
  Al  Al12  1  0.339708  0.506199  0.277994  1
  Al  Al13  1  0.612384  0.778866  0.329016  1
  Al  Al14  1  0.670529  0.170785  0.278059  1
  Al  Al15  1  0.641563  0.474574  0.302745  1
  Al  Al16  1  0.005159  0.838506  0.277951  1
  Al  Al17  1  0.974294  0.143564  0.302407  1
  Al  Al18  1  0.308312  0.808523  0.302776  1
  Al  Al19  1  0.139149  0.472558  0.301746  1
  Al  Al20  1  0.474020  0.141622  0.302795  1
  Al  Al21  1  0.445851  0.445793  0.329073  1
  Al  Al22  1  0.808226  0.807413  0.302796  1
  Al  Al23  1  0.778594  0.111971  0.329094  1
  Al  Al24  1  0.841870  0.502745  0.278290  1
  Al  Al25  1  0.112421  0.779226  0.329075  1
  Al  Al26  1  0.169416  0.175164  0.278287  1
  Al  Al27  1  0.505137  0.838457  0.277826  1
  Al  Al28  1  0.915461  0.248848  0.353760  1
  Al  Al29  1  0.337110  0.006592  0.277916  1
  Al  Al30  1  0.307959  0.308740  0.302843  1
  Al  Al31  1  0.673275  0.670429  0.277916  1
  Al  Al32  1  0.640813  0.974208  0.302818  1
  Al  Al33  1  0.613319  0.279204  0.328936  1
  Al  Al34  1  0.975349  0.641361  0.302847  1
  Al  Al35  1  0.945826  0.946688  0.328938  1
  Al  Al36  1  0.278188  0.611561  0.328871  1
  Al  Al37  1  0.021419  0.188272  0.405270  1
  Al  Al38  1  0.354768  0.854874  0.405332  1
  Al  Al39  1  0.415488  0.249131  0.353851  1
  Al  Al40  1  0.688295  0.521482  0.405325  1
  Al  Al41  1  0.748929  0.915341  0.353865  1
  Al  Al42  1  0.718741  0.218732  0.379783  1
  Al  Al43  1  0.082490  0.582010  0.353803  1
  Al  Al44  1  0.051926  0.885384  0.379809  1
  Al  Al45  1  0.385274  0.552082  0.379790  1
  Al  Al46  1  0.854873  0.354817  0.405270  1
  Al  Al47  1  0.188084  0.021695  0.405325  1
  Al  Al48  1  0.248615  0.415877  0.353801  1
  Al  Al49  1  0.521475  0.688166  0.405332  1
  Al  Al50  1  0.581949  0.082322  0.353865  1
  Al  Al51  1  0.551991  0.385315  0.379808  1
  Al  Al52  1  0.915740  0.748881  0.353853  1
  Al  Al53  1  0.885341  0.052132  0.379783  1
  Al  Al54  1  0.218694  0.718665  0.379791  1
  Al  Al55  1  0.052116  0.385504  0.379926  1
  Al  Al56  1  0.385212  0.052218  0.379838  1
  Al  Al57  1  0.354654  0.354849  0.405292  1
  Al  Al58  1  0.718824  0.718604  0.379838  1
  Al  Al59  1  0.688121  0.021520  0.405318  1
  Al  Al60  1  0.748711  0.415542  0.353888  1
  Al  Al61  1  0.021452  0.688055  0.405293  1
  Al  Al62  1  0.082155  0.082102  0.353888  1
  Al  Al63  1  0.415293  0.748680  0.353841  1
  Al  Al64  1  0.824423  0.157826  0.431093  1
  Al  Al65  1  0.248800  0.915577  0.353890  1
  Al  Al66  1  0.218035  0.219209  0.379541  1
  Al  Al67  1  0.582188  0.582185  0.353889  1
  Al  Al68  1  0.551939  0.885331  0.379803  1
  Al  Al69  1  0.521444  0.188235  0.405328  1
  Al  Al70  1  0.885814  0.551431  0.379544  1
  Al  Al71  1  0.854836  0.854844  0.405329  1
  Al  Al72  1  0.188183  0.521580  0.405355  1
  Al  Al73  1  0.930247  0.097024  0.482483  1
  Al  Al74  1  0.263578  0.763684  0.482478  1
  Al  Al75  1  0.324248  0.157946  0.431039  1
  Al  Al76  1  0.596940  0.430312  0.482477  1
  Al  Al77  1  0.657783  0.824456  0.431105  1
  Al  Al78  1  0.627316  0.127399  0.456762  1
  Al  Al79  1  0.991031  0.491176  0.431097  1
  Al  Al80  1  0.960648  0.794026  0.456752  1
  Al  Al81  1  0.293988  0.460714  0.456767  1
  Al  Al82  1  0.763610  0.263660  0.482483  1
  Al  Al83  1  0.096899  0.930353  0.482477  1
  Al  Al84  1  0.157774  0.324433  0.431096  1
  Al  Al85  1  0.430271  0.596991  0.482478  1
  Al  Al86  1  0.491053  0.991187  0.431105  1
  Al  Al87  1  0.460617  0.294056  0.456751  1
  Al  Al88  1  0.824542  0.657652  0.431041  1
  Al  Al89  1  0.793990  0.960725  0.456762  1
  Al  Al90  1  0.127307  0.627396  0.456767  1
  Al  Al91  1  0.960650  0.294058  0.456749  1
  Al  Al92  1  0.293952  0.960785  0.456756  1
  Al  Al93  1  0.263573  0.263674  0.482481  1
  Al  Al94  1  0.627376  0.627360  0.456756  1
  Al  Al95  1  0.596935  0.930349  0.482482  1
  Al  Al96  1  0.657790  0.324468  0.431096  1
  Al  Al97  1  0.930262  0.596985  0.482481  1
  Al  Al98  1  0.991065  0.991194  0.431096  1
  Al  Al99  1  0.324424  0.657826  0.431110  1
  Al  Al100  1  0.733192  0.066611  0.508173  1
  Al  Al101  1  0.157721  0.824493  0.431098  1
  Al  Al102  1  0.127269  0.127435  0.456752  1
  Al  Al103  1  0.491089  0.491122  0.431098  1
  Al  Al104  1  0.460660  0.794069  0.456763  1
  Al  Al105  1  0.430216  0.097046  0.482468  1
  Al  Al106  1  0.794026  0.460676  0.456752  1
  Al  Al107  1  0.763633  0.763629  0.482468  1
  Al  Al108  1  0.096919  0.430331  0.482484  1
  Al  Al109  1  0.839070  0.005807  0.559563  1
  Al  Al110  1  0.172326  0.672393  0.559559  1
  Al  Al111  1  0.233142  0.066636  0.508161  1
  Al  Al112  1  0.505662  0.339116  0.559555  1
  Al  Al113  1  0.566542  0.733249  0.508155  1
  Al  Al114  1  0.536120  0.036253  0.533882  1
  Al  Al115  1  0.899871  0.399914  0.508174  1
  Al  Al116  1  0.869485  0.702848  0.533891  1
  Al  Al117  1  0.202759  0.369552  0.533905  1
  Al  Al118  1  0.672378  0.172499  0.559563  1
  Al  Al119  1  0.005687  0.839090  0.559555  1
  Al  Al120  1  0.066496  0.233290  0.508174  1
  Al  Al121  1  0.338966  0.505754  0.559559  1
  Al  Al122  1  0.399831  0.899960  0.508155  1
  Al  Al123  1  0.369426  0.202908  0.533891  1
  Al  Al124  1  0.733218  0.566560  0.508161  1
  Al  Al125  1  0.702829  0.869543  0.533883  1
  Al  Al126  1  0.036129  0.536182  0.533905  1
  Al  Al127  1  0.869471  0.202895  0.533910  1
  Al  Al128  1  0.202747  0.869547  0.533873  1
  Al  Al129  1  0.172322  0.172521  0.559567  1
  Al  Al130  1  0.536124  0.536170  0.533873  1
  Al  Al131  1  0.505705  0.839133  0.559512  1
  Al  Al132  1  0.566504  0.233267  0.508166  1
  Al  Al133  1  0.839092  0.505750  0.559567  1
  Al  Al134  1  0.899848  0.899923  0.508166  1
  Al  Al135  1  0.233163  0.566581  0.508170  1
  Al  Al136  1  0.642046  0.975478  0.585317  1
  Al  Al137  1  0.066502  0.733249  0.508168  1
  Al  Al138  1  0.036076  0.036255  0.533883  1
  Al  Al139  1  0.399831  0.399920  0.508168  1
  Al  Al140  1  0.369430  0.702852  0.533865  1
  Al  Al141  1  0.338977  0.005858  0.559531  1
  Al  Al142  1  0.702831  0.369500  0.533883  1
  Al  Al143  1  0.672429  0.672406  0.559532  1
  Al  Al144  1  0.005693  0.339122  0.559589  1
  Al  Al145  1  0.748137  0.914789  0.636811  1
  Al  Al146  1  0.081020  0.581322  0.636907  1
  Al  Al147  1  0.141795  0.975542  0.585275  1
  Al  Al148  1  0.414496  0.248077  0.636893  1
  Al  Al149  1  0.475249  0.642010  0.585271  1
  Al  Al150  1  0.444784  0.945030  0.610785  1
  Al  Al151  1  0.808685  0.308761  0.585383  1
  Al  Al152  1  0.778278  0.611556  0.610890  1
  Al  Al153  1  0.111420  0.278155  0.610936  1
  Al  Al154  1  0.581349  0.081578  0.636811  1
  Al  Al155  1  0.914637  0.747935  0.636892  1
  Al  Al156  1  0.975327  0.142119  0.585383  1
  Al  Al157  1  0.247883  0.414461  0.636907  1
  Al  Al158  1  0.308579  0.808680  0.585270  1
  Al  Al159  1  0.278116  0.111719  0.610890  1
  Al  Al160  1  0.642108  0.475229  0.585276  1
  Al  Al161  1  0.611591  0.778223  0.610785  1
  Al  Al162  1  0.944714  0.444860  0.610937  1
  Al  Al163  1  0.778173  0.111614  0.610878  1
  Al  Al164  1  0.111359  0.778039  0.610881  1
  Al  Al165  1  0.081302  0.081411  0.636958  1
  Al  Al166  1  0.444600  0.444800  0.610882  1
  Al  Al167  1  0.414547  0.747984  0.636692  1
  Al  Al168  1  0.475306  0.142189  0.585337  1
  Al  Al169  1  0.747967  0.414745  0.636959  1
  Al  Al170  1  0.808757  0.808739  0.585337  1
  Al  Al171  1  0.141929  0.475362  0.585390  1
  Al  Al172  1  0.551299  0.884750  0.661597  1
  Al  Al173  1  0.975321  0.642019  0.585361  1
  Al  Al174  1  0.944891  0.944865  0.610900  1
  Al  Al175  1  0.308587  0.308754  0.585361  1
  Al  Al176  1  0.278004  0.611443  0.610911  1
  Al  Al177  1  0.247164  0.915164  0.636503  1
  Al  Al178  1  0.611425  0.278332  0.610901  1
  Al  Al179  1  0.581720  0.580610  0.636507  1
  Al  Al180  1  0.914558  0.248001  0.636913  1
  Al  Al181  1  0.660181  0.825959  0.712728  1
  Al  Al182  1  0.991010  0.491648  0.712951  1
  Al  Al183  1  0.051347  0.884377  0.661769  1
  Al  Al184  1  0.325190  0.157214  0.713125  1
  Al  Al185  1  0.384208  0.551061  0.661802  1
  Al  Al186  1  0.353868  0.855981  0.686976  1
  Al  Al187  1  0.717729  0.217887  0.661714  1
  Al  Al188  1  0.688177  0.522715  0.688312  1
  Al  Al189  1  0.022107  0.188568  0.688101  1
  Al  Al190  1  0.492448  0.993647  0.712729  1
  Al  Al191  1  0.823720  0.658691  0.713125  1
  Al  Al192  1  0.884432  0.051185  0.661714  1
  Al  Al193  1  0.158149  0.324509  0.712951  1
  Al  Al194  1  0.217605  0.717658  0.661800  1
  Al  Al195  1  0.189272  0.021620  0.688311  1
  Al  Al196  1  0.550922  0.384799  0.661770  1
  Al  Al197  1  0.522535  0.687326  0.686987  1
  Al  Al198  1  0.855128  0.355547  0.688102  1
  Al  Al199  1  0.688673  0.022114  0.688059  1
  Al  Al200  1  0.021854  0.688759  0.688224  1
  Al  Al201  1  0.991741  0.991625  0.712910  1
  Al  Al202  1  0.355322  0.355287  0.688224  1
  Al  Al203  1  0.323210  0.656716  0.712740  1
  Al  Al204  1  0.384620  0.050990  0.661775  1
  Al  Al205  1  0.658121  0.325242  0.712910  1
  Al  Al206  1  0.717535  0.718073  0.661776  1
  Al  Al207  1  0.050739  0.384193  0.661746  1
  Al  Al208  1  0.461398  0.794936  0.736339  1
  Al  Al209  1  0.884018  0.551341  0.661831  1
  Al  Al210  1  0.856218  0.855490  0.687946  1
  Al  Al211  1  0.217887  0.217472  0.661831  1
  Al  Al212  1  0.187789  0.521224  0.687912  1
  Al  Al213  1  0.158981  0.824976  0.713138  1
  Al  Al214  1  0.522050  0.189648  0.687947  1
  Al  Al215  1  0.491469  0.492475  0.713139  1
  Al  Al216  1  0.824856  0.158359  0.712868  1
