# generated using pymatgen
data_Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.28163502
_cell_length_b   10.96112044
_cell_length_c   48.32608068
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   72.07978686
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al
_chemical_formula_sum   Al162
_cell_volume   6190.06308031
_cell_formula_units_Z   162
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  0.707812  0.380272  0.286368  1
  Al  Al2  1  0.057868  1.019775  0.293935  1
  Al  Al3  1  -0.001396  0.245484  0.330876  1
  Al  Al4  1  0.354608  0.306219  0.303706  1
  Al  Al5  1  0.654541  1.035200  0.289353  1
  Al  Al6  1  -0.002320  0.663715  0.296200  1
  Al  Al7  1  0.349257  0.739284  0.279782  1
  Al  Al8  1  0.295539  0.967976  0.308340  1
  Al  Al9  1  0.653612  0.603441  0.315963  1
  Al  Al10  1  0.472338  0.067022  0.327470  1
  Al  Al11  1  0.886825  0.913791  0.278698  1
  Al  Al12  1  0.830740  0.145035  0.306469  1
  Al  Al13  1  0.163207  0.211931  0.288742  1
  Al  Al14  1  0.530542  0.845720  0.295015  1
  Al  Al15  1  0.925228  0.408492  0.289341  1
  Al  Al16  1  0.230505  0.554988  0.284688  1
  Al  Al17  1  0.170627  0.777917  0.316111  1
  Al  Al18  1  0.473783  0.498095  0.297928  1
  Al  Al19  1  0.591783  0.257089  0.320995  1
  Al  Al20  1  0.943183  0.893782  0.332382  1
  Al  Al21  1  0.881559  0.118234  0.365190  1
  Al  Al22  1  0.237168  0.186173  0.343729  1
  Al  Al23  1  0.590074  0.824825  0.351960  1
  Al  Al24  1  0.889335  0.542847  0.336407  1
  Al  Al25  1  0.296184  0.531614  0.339616  1
  Al  Al26  1  0.232564  0.754979  0.373875  1
  Al  Al27  1  0.531262  0.480319  0.355255  1
  Al  Al28  1  0.352051  0.944651  0.366373  1
  Al  Al29  1  0.769494  0.785212  0.310540  1
  Al  Al30  1  0.711036  1.013731  0.344741  1
  Al  Al31  1  0.116993  0.999474  0.351280  1
  Al  Al32  1  0.414339  0.721065  0.333270  1
  Al  Al33  1  0.768676  0.362599  0.341840  1
  Al  Al34  1  0.120190  0.428193  0.320267  1
  Al  Al35  1  0.060380  0.651005  0.354093  1
  Al  Al36  1  0.412436  0.289045  0.362194  1
  Al  Al37  1  0.529050  0.046485  0.385779  1
  Al  Al38  1  0.825732  0.770112  0.368859  1
  Al  Al39  1  0.764345  0.994563  0.403066  1
  Al  Al40  1  0.171112  0.981006  0.408977  1
  Al  Al41  1  0.468441  0.702819  0.390389  1
  Al  Al42  1  0.820900  0.340981  0.399896  1
  Al  Al43  1  0.175718  0.408327  0.377026  1
  Al  Al44  1  0.115132  0.630505  0.412159  1
  Al  Al45  1  0.468274  0.267877  0.420679  1
  Al  Al46  1  0.287940  0.735034  0.432134  1
  Al  Al47  1  0.705187  0.582969  0.375424  1
  Al  Al48  1  0.645791  0.803979  0.410121  1
  Al  Al49  1  -0.000817  0.874475  0.389162  1
  Al  Al50  1  0.350557  0.511022  0.397299  1
  Al  Al51  1  0.646954  0.238154  0.378832  1
  Al  Al52  1  0.051300  0.233890  0.386372  1
  Al  Al53  1  0.947096  0.515315  0.392317  1
  Al  Al54  1  0.291496  0.166408  0.401191  1
  Al  Al55  1  0.407216  0.925064  0.424733  1
  Al  Al56  1  0.762337  0.562202  0.433899  1
  Al  Al57  1  0.701392  0.783482  0.468317  1
  Al  Al58  1  0.054423  0.854153  0.446923  1
  Al  Al59  1  0.405375  0.491171  0.455511  1
  Al  Al60  1  0.702621  0.217398  0.437473  1
  Al  Al61  1  0.106311  0.213551  0.443812  1
  Al  Al62  1  0.002586  0.494885  0.450155  1
  Al  Al63  1  0.345863  0.146508  0.459257  1
  Al  Al64  1  0.170145  0.610283  0.470164  1
  Al  Al65  1  0.584842  0.460433  0.413857  1
  Al  Al66  1  0.523721  0.682749  0.448472  1
  Al  Al67  1  0.882630  0.747537  0.426724  1
  Al  Al68  1  0.231576  0.387957  0.435181  1
  Al  Al69  1  0.584274  1.025831  0.444481  1
  Al  Al70  1  0.938279  0.098125  0.423424  1
  Al  Al71  1  0.876768  0.320564  0.458067  1
  Al  Al72  1  0.225813  0.961111  0.466895  1
  Al  Al73  1  0.343010  0.715033  0.490226  1
  Al  Al74  1  0.640238  0.440349  0.472104  1
  Al  Al75  1  0.579010  0.662637  0.506578  1
  Al  Al76  1  0.938133  0.727005  0.484739  1
  Al  Al77  1  0.286655  0.367830  0.493337  1
  Al  Al78  1  0.639737  1.005485  0.502737  1
  Al  Al79  1  -0.006331  0.077798  0.481445  1
  Al  Al80  1  0.932207  0.300207  0.516212  1
  Al  Al81  1  0.280721  0.941124  0.524890  1
  Al  Al82  1  0.057769  0.474646  0.508142  1
  Al  Al83  1  0.523206  0.247918  0.479020  1
  Al  Al84  1  0.460542  0.471136  0.513672  1
  Al  Al85  1  0.817980  0.541742  0.492116  1
  Al  Al86  1  0.161228  0.193475  0.501617  1
  Al  Al87  1  0.462110  0.904910  0.482932  1
  Al  Al88  1  0.820399  0.973338  0.461142  1
  Al  Al89  1  0.758195  0.196843  0.495701  1
  Al  Al90  1  0.109563  0.833867  0.504887  1
  Al  Al91  1  0.225249  0.590093  0.528203  1
  Al  Al92  1  0.578451  0.227701  0.537184  1
  Al  Al93  1  0.515687  0.450865  0.571818  1
  Al  Al94  1  0.873398  0.521431  0.550298  1
  Al  Al95  1  0.216226  0.173611  0.559562  1
  Al  Al96  1  0.517206  0.884960  0.541032  1
  Al  Al97  1  0.875868  0.952833  0.519241  1
  Al  Al98  1  0.813683  0.176380  0.553882  1
  Al  Al99  1  0.164729  0.813481  0.562990  1
  Al  Al100  1  -0.012563  0.280121  0.574364  1
  Al  Al101  1  0.400827  0.126491  0.517373  1
  Al  Al102  1  0.341912  0.347723  0.551569  1
  Al  Al103  1  0.695578  0.420037  0.530240  1
  Al  Al104  1  0.048918  0.057510  0.539453  1
  Al  Al105  1  0.398060  0.695044  0.548236  1
  Al  Al106  1  0.756851  0.763152  0.526451  1
  Al  Al107  1  0.695023  0.985195  0.560912  1
  Al  Al108  1  -0.006462  0.706700  0.542876  1
  Al  Al109  1  0.112743  0.454727  0.566197  1
  Al  Al110  1  0.455765  0.106783  0.575564  1
  Al  Al111  1  0.397830  0.327454  0.610159  1
  Al  Al112  1  0.750861  0.399681  0.588291  1
  Al  Al113  1  0.104003  1.037476  0.597352  1
  Al  Al114  1  0.453068  0.675216  0.606007  1
  Al  Al115  1  0.812324  0.742829  0.584525  1
  Al  Al116  1  0.750679  0.965061  0.619170  1
  Al  Al117  1  0.049148  0.686384  0.601298  1
  Al  Al118  1  0.869749  0.155761  0.612217  1
  Al  Al119  1  0.335608  0.921456  0.582915  1
  Al  Al120  1  0.271392  0.154522  0.617641  1
  Al  Al121  1  0.633705  0.207525  0.595227  1
  Al  Al122  1  0.931152  0.932426  0.577358  1
  Al  Al123  1  0.280270  0.569809  0.586255  1
  Al  Al124  1  0.634312  0.642502  0.564629  1
  Al  Al125  1  0.572052  0.865184  0.599074  1
  Al  Al126  1  0.929067  0.501063  0.608677  1
  Al  Al127  1  0.042872  0.260811  0.632555  1
  Al  Al128  1  0.389339  0.901932  0.641030  1
  Al  Al129  1  0.327037  0.135095  0.674574  1
  Al  Al130  1  0.688427  0.187709  0.652490  1
  Al  Al131  1  -0.013302  0.911681  0.635365  1
  Al  Al132  1  0.335665  0.549967  0.643816  1
  Al  Al133  1  0.690376  0.621867  0.622671  1
  Al  Al134  1  0.627560  0.845224  0.656392  1
  Al  Al135  1  -0.014956  0.481645  0.666592  1
  Al  Al136  1  0.806932  0.945602  0.676817  1
  Al  Al137  1  0.220301  0.793304  0.621273  1
  Al  Al138  1  0.158189  1.018517  0.654197  1
  Al  Al139  1  0.511313  0.086427  0.633778  1
  Al  Al140  1  0.867299  0.723433  0.642286  1
  Al  Al141  1  0.168327  0.434516  0.624088  1
  Al  Al142  1  0.570900  0.431097  0.630082  1
  Al  Al143  1  0.508207  0.657327  0.662562  1
  Al  Al144  1  0.805841  0.378080  0.645992  1
  Al  Al145  1  0.927175  0.134014  0.670275  1
  Al  Al146  1  0.274741  0.770007  0.679722  1
  Al  Al147  1  0.217704  0.997600  0.708154  1
  Al  Al148  1  0.567111  0.067832  0.691747  1
  Al  Al149  1  0.923968  0.702516  0.698545  1
  Al  Al150  1  0.221749  0.418073  0.680892  1
  Al  Al151  1  0.626150  0.410657  0.687838  1
  Al  Al152  1  0.569235  0.639870  0.716492  1
  Al  Al153  1  0.862146  0.359761  0.702214  1
  Al  Al154  1  0.689565  0.821723  0.711179  1
  Al  Al155  1  0.105161  0.667347  0.659562  1
  Al  Al156  1  0.042100  0.893858  0.692982  1
  Al  Al157  1  0.447569  0.881707  0.697565  1
  Al  Al158  1  0.748119  0.599222  0.679869  1
  Al  Al159  1  0.095288  0.240534  0.690040  1
  Al  Al160  1  0.454204  0.307957  0.668570  1
  Al  Al161  1  0.393674  0.533219  0.699981  1
  Al  Al162  1  0.746955  0.169506  0.707301  1
