# generated using pymatgen
data_Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.78559453
_cell_length_b   11.70901130
_cell_length_c   47.52635074
_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   6240.34431192
_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  0.655995  0.087460  0.292091  1
  Al  Al2  1  0.048669  0.801462  0.303213  1
  Al  Al3  1  0.965583  0.046565  0.328581  1
  Al  Al4  1  0.357188  0.101745  0.318627  1
  Al  Al5  1  0.659652  0.758172  0.313278  1
  Al  Al6  1  0.960719  0.393680  0.306029  1
  Al  Al7  1  0.366012  0.450788  0.297979  1
  Al  Al8  1  0.278469  0.688668  0.322422  1
  Al  Al9  1  0.656904  0.400977  0.335311  1
  Al  Al10  1  0.425600  0.839724  0.330885  1
  Al  Al11  1  0.893868  0.652745  0.296139  1
  Al  Al12  1  0.815965  0.897617  0.321633  1
  Al  Al13  1  0.199209  0.956220  0.310550  1
  Al  Al14  1  0.519882  0.600214  0.305623  1
  Al  Al15  1  0.810640  0.238940  0.298787  1
  Al  Al16  1  0.207018  0.305837  0.290927  1
  Al  Al17  1  0.124821  0.540602  0.314666  1
  Al  Al18  1  0.504693  0.253419  0.328042  1
  Al  Al19  1  0.579680  0.987254  0.339943  1
  Al  Al20  1  0.962596  0.699292  0.351527  1
  Al  Al21  1  0.881805  0.940398  0.377017  1
  Al  Al22  1  0.266836  1.000372  0.367036  1
  Al  Al23  1  0.575384  0.644904  0.361727  1
  Al  Al24  1  0.884158  0.285959  0.354556  1
  Al  Al25  1  0.272187  0.345778  0.345967  1
  Al  Al26  1  0.189982  0.584567  0.370283  1
  Al  Al27  1  0.572452  0.297058  0.383601  1
  Al  Al28  1  0.341215  0.733877  0.378537  1
  Al  Al29  1  0.805509  0.553190  0.342989  1
  Al  Al30  1  0.729378  0.791668  0.369387  1
  Al  Al31  1  0.115145  0.849395  0.358913  1
  Al  Al32  1  0.425015  0.494861  0.353832  1
  Al  Al33  1  0.731851  0.136203  0.347352  1
  Al  Al34  1  0.118313  0.196364  0.336206  1
  Al  Al35  1  0.035449  0.436056  0.361625  1
  Al  Al36  1  0.419560  0.148275  0.375555  1
  Al  Al37  1  0.493777  0.882502  0.386739  1
  Al  Al38  1  0.877243  0.594527  0.398988  1
  Al  Al39  1  0.796747  0.835410  0.424922  1
  Al  Al40  1  0.182578  0.894291  0.414965  1
  Al  Al41  1  0.491443  0.538038  0.409245  1
  Al  Al42  1  0.799927  0.180825  0.402525  1
  Al  Al43  1  0.184995  0.239557  0.392435  1
  Al  Al44  1  0.104400  0.478774  0.417882  1
  Al  Al45  1  0.487976  0.192113  0.431379  1
  Al  Al46  1  0.257104  0.627849  0.426298  1
  Al  Al47  1  0.724276  0.446290  0.391168  1
  Al  Al48  1  0.644083  0.686835  0.417140  1
  Al  Al49  1  0.030436  0.744301  0.407087  1
  Al  Al50  1  0.339088  0.388660  0.401200  1
  Al  Al51  1  0.647309  0.031557  0.394836  1
  Al  Al52  1  0.033281  0.089776  0.384456  1
  Al  Al53  1  0.951772  0.330213  0.410112  1
  Al  Al54  1  0.334936  0.043571  0.423144  1
  Al  Al55  1  0.409422  0.777156  0.434390  1
  Al  Al56  1  0.792834  0.490065  0.447056  1
  Al  Al57  1  0.711952  0.730314  0.472751  1
  Al  Al58  1  0.098360  0.788540  0.462956  1
  Al  Al59  1  0.406875  0.432102  0.456924  1
  Al  Al60  1  0.715196  0.075466  0.450397  1
  Al  Al61  1  0.101053  0.133978  0.440451  1
  Al  Al62  1  0.019990  0.373649  0.465976  1
  Al  Al63  1  0.403407  0.087068  0.479086  1
  Al  Al64  1  0.172546  0.522349  0.473979  1
  Al  Al65  1  0.640447  0.341174  0.439265  1
  Al  Al66  1  0.559356  0.581327  0.464889  1
  Al  Al67  1  0.945687  0.638958  0.454900  1
  Al  Al68  1  0.253757  0.282966  0.448548  1
  Al  Al69  1  0.562210  0.926331  0.442414  1
  Al  Al70  1  0.949018  0.984631  0.432682  1
  Al  Al71  1  0.867605  0.224672  0.458181  1
  Al  Al72  1  0.250755  0.938027  0.470961  1
  Al  Al73  1  0.325201  0.671519  0.482184  1
  Al  Al74  1  0.708485  0.384850  0.494996  1
  Al  Al75  1  0.627357  0.624888  0.520570  1
  Al  Al76  1  0.013853  0.682976  0.510773  1
  Al  Al77  1  0.322216  0.326649  0.504566  1
  Al  Al78  1  0.630439  0.970124  0.498193  1
  Al  Al79  1  0.016897  0.028385  0.488402  1
  Al  Al80  1  0.935621  0.268260  0.513878  1
  Al  Al81  1  0.319059  0.981747  0.526872  1
  Al  Al82  1  0.088132  0.417208  0.521836  1
  Al  Al83  1  0.556126  0.235866  0.487158  1
  Al  Al84  1  0.475009  0.475722  0.512740  1
  Al  Al85  1  0.861079  0.533910  0.502839  1
  Al  Al86  1  0.169430  0.177648  0.496390  1
  Al  Al87  1  0.477695  0.820894  0.490201  1
  Al  Al88  1  0.864474  0.879188  0.480566  1
  Al  Al89  1  0.783201  0.119198  0.506094  1
  Al  Al90  1  0.166578  0.832336  0.518809  1
  Al  Al91  1  0.240865  0.566025  0.529933  1
  Al  Al92  1  0.624205  0.279414  0.542959  1
  Al  Al93  1  0.543278  0.519383  0.568642  1
  Al  Al94  1  0.929086  0.577658  0.558589  1
  Al  Al95  1  0.237714  0.221444  0.552333  1
  Al  Al96  1  0.545830  0.864759  0.546048  1
  Al  Al97  1  0.932399  0.922816  0.536215  1
  Al  Al98  1  0.851402  0.162960  0.561836  1
  Al  Al99  1  0.234860  0.876017  0.574622  1
  Al  Al100  1  0.003532  0.311947  0.569585  1
  Al  Al101  1  0.471671  0.130701  0.535003  1
  Al  Al102  1  0.390695  0.370342  0.560600  1
  Al  Al103  1  0.776436  0.428477  0.550676  1
  Al  Al104  1  0.084961  0.071973  0.544100  1
  Al  Al105  1  0.393520  0.715190  0.538079  1
  Al  Al106  1  0.779806  0.773947  0.528408  1
  Al  Al107  1  0.698670  0.014099  0.554012  1
  Al  Al108  1  0.082094  0.726743  0.566573  1
  Al  Al109  1  0.156366  0.460924  0.577669  1
  Al  Al110  1  0.539798  0.174121  0.591003  1
  Al  Al111  1  0.459473  0.413846  0.616736  1
  Al  Al112  1  0.843778  0.472344  0.606296  1
  Al  Al113  1  0.152798  0.115385  0.599736  1
  Al  Al114  1  0.461653  0.758942  0.594066  1
  Al  Al115  1  0.847609  0.817706  0.584048  1
  Al  Al116  1  0.767331  0.058244  0.609884  1
  Al  Al117  1  0.150344  0.770453  0.622273  1
  Al  Al118  1  0.919751  0.206670  0.617679  1
  Al  Al119  1  0.387041  0.025512  0.582804  1
  Al  Al120  1  0.305910  0.265329  0.608366  1
  Al  Al121  1  0.692311  0.322864  0.598743  1
  Al  Al122  1  1.000376  0.966242  0.591824  1
  Al  Al123  1  0.309313  0.609542  0.585905  1
  Al  Al124  1  0.695098  0.668675  0.576262  1
  Al  Al125  1  0.613738  0.909247  0.601853  1
  Al  Al126  1  0.997037  0.621537  0.614221  1
  Al  Al127  1  0.071207  0.356120  0.625146  1
  Al  Al128  1  0.454048  0.068862  0.638848  1
  Al  Al129  1  0.373377  0.309144  0.664404  1
  Al  Al130  1  0.759697  0.366796  0.654256  1
  Al  Al131  1  0.068699  0.008279  0.647250  1
  Al  Al132  1  0.377155  0.652789  0.642008  1
  Al  Al133  1  0.762190  0.713159  0.631829  1
  Al  Al134  1  0.681378  0.954488  0.657390  1
  Al  Al135  1  0.065449  0.664994  0.669266  1
  Al  Al136  1  0.838408  0.100265  0.665981  1
  Al  Al137  1  0.302775  0.919205  0.630474  1
  Al  Al138  1  0.219030  0.158538  0.654985  1
  Al  Al139  1  0.608715  0.216478  0.646917  1
  Al  Al140  1  0.915029  0.861316  0.639641  1
  Al  Al141  1  0.224914  0.504539  0.633544  1
  Al  Al142  1  0.610837  0.563633  0.624684  1
  Al  Al143  1  0.529154  0.804387  0.649961  1
  Al  Al144  1  0.911092  0.517128  0.661340  1
  Al  Al145  1  0.987213  0.251581  0.673413  1
  Al  Al146  1  0.365398  0.964489  0.686468  1
  Al  Al147  1  0.276957  0.202944  0.710561  1
  Al  Al148  1  0.679307  0.259337  0.702655  1
  Al  Al149  1  0.984802  0.894983  0.695672  1
  Al  Al150  1  0.288944  0.547695  0.690974  1
  Al  Al151  1  0.678906  0.607457  0.680464  1
  Al  Al152  1  0.595623  0.852344  0.705652  1
  Al  Al153  1  0.984097  0.565406  0.716648  1
  Al  Al154  1  0.751096  0.999415  0.712658  1
  Al  Al155  1  0.218191  0.812995  0.678095  1
  Al  Al156  1  0.124254  0.053031  0.703309  1
  Al  Al157  1  0.519064  0.113520  0.694621  1
  Al  Al158  1  0.828218  0.756250  0.687080  1
  Al  Al159  1  0.136945  0.400251  0.680507  1
  Al  Al160  1  0.526173  0.457343  0.673168  1
  Al  Al161  1  0.444722  0.699689  0.698053  1
  Al  Al162  1  0.833101  0.412302  0.709809  1
