# generated using pymatgen
data_Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.97753081
_cell_length_b   8.97653862
_cell_length_c   49.31083257
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   78.46304097
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al
_chemical_formula_sum   Al112
_cell_volume   3893.53210241
_cell_formula_units_Z   112
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  0.908793  0.909326  0.337665  1
  Al  Al2  1  0.571978  0.572531  0.274551  1
  Al  Al3  1  0.493951  0.991429  0.304542  1
  Al  Al4  1  0.990901  0.494483  0.304541  1
  Al  Al5  1  0.741309  0.741833  0.304199  1
  Al  Al6  1  0.241931  0.242460  0.304812  1
  Al  Al7  1  0.329353  0.816201  0.274967  1
  Al  Al8  1  0.815646  0.329904  0.274967  1
  Al  Al9  1  0.036194  0.785311  0.289656  1
  Al  Al10  1  0.533463  0.285064  0.289390  1
  Al  Al11  1  0.450918  0.700001  0.322060  1
  Al  Al12  1  0.951062  0.200868  0.321191  1
  Al  Al13  1  0.784763  0.036725  0.289656  1
  Al  Al14  1  0.284531  0.533998  0.289390  1
  Al  Al15  1  0.200336  0.951596  0.321193  1
  Al  Al16  1  0.699463  0.451454  0.322060  1
  Al  Al17  1  0.741924  0.742454  0.404369  1
  Al  Al18  1  0.408525  0.409058  0.337464  1
  Al  Al19  1  0.324920  0.827096  0.370922  1
  Al  Al20  1  0.826564  0.325454  0.370922  1
  Al  Al21  1  0.575663  0.576196  0.371358  1
  Al  Al22  1  0.075686  0.076220  0.370879  1
  Al  Al23  1  0.159797  0.660077  0.337416  1
  Al  Al24  1  0.659545  0.160330  0.337416  1
  Al  Al25  1  0.867869  0.618506  0.353768  1
  Al  Al26  1  0.367717  0.117773  0.353753  1
  Al  Al27  1  0.283310  0.534074  0.387700  1
  Al  Al28  1  0.783628  0.034188  0.387675  1
  Al  Al29  1  0.617976  0.868400  0.353768  1
  Al  Al30  1  0.117240  0.368248  0.353753  1
  Al  Al31  1  0.033656  0.784160  0.387675  1
  Al  Al32  1  0.533542  0.283842  0.387700  1
  Al  Al33  1  0.574825  0.575352  0.471535  1
  Al  Al34  1  0.241668  0.242198  0.404304  1
  Al  Al35  1  0.158152  0.658797  0.438014  1
  Al  Al36  1  0.658267  0.158681  0.438014  1
  Al  Al37  1  0.408213  0.408742  0.438013  1
  Al  Al38  1  0.908269  0.908798  0.438001  1
  Al  Al39  1  0.991657  0.492309  0.404329  1
  Al  Al40  1  0.491778  0.992187  0.404329  1
  Al  Al41  1  0.700236  0.450287  0.421293  1
  Al  Al42  1  0.199901  0.950632  0.421242  1
  Al  Al43  1  0.116529  0.367060  0.454718  1
  Al  Al44  1  0.616545  0.867069  0.454734  1
  Al  Al45  1  0.449757  0.700765  0.421293  1
  Al  Al46  1  0.950102  0.200431  0.421242  1
  Al  Al47  1  0.866541  0.617073  0.454734  1
  Al  Al48  1  0.366532  0.117057  0.454718  1
  Al  Al49  1  0.407947  0.408471  0.538617  1
  Al  Al50  1  0.074830  0.075357  0.471541  1
  Al  Al51  1  0.991412  0.491917  0.505069  1
  Al  Al52  1  0.491392  0.991937  0.505069  1
  Al  Al53  1  0.241389  0.241915  0.505066  1
  Al  Al54  1  0.741399  0.741924  0.505068  1
  Al  Al55  1  0.824881  0.325300  0.471548  1
  Al  Al56  1  0.324773  0.825408  0.471548  1
  Al  Al57  1  0.533114  0.283606  0.488313  1
  Al  Al58  1  0.033080  0.783639  0.488320  1
  Al  Al59  1  0.949678  0.200192  0.521834  1
  Al  Al60  1  0.449679  0.700215  0.521827  1
  Al  Al61  1  0.283080  0.533640  0.488313  1
  Al  Al62  1  0.783113  0.033607  0.488320  1
  Al  Al63  1  0.699691  0.450203  0.521827  1
  Al  Al64  1  0.199667  0.950202  0.521834  1
  Al  Al65  1  0.241106  0.241626  0.605789  1
  Al  Al66  1  0.907961  0.908484  0.538649  1
  Al  Al67  1  0.824523  0.325038  0.572102  1
  Al  Al68  1  0.324516  0.825044  0.572102  1
  Al  Al69  1  0.074544  0.075065  0.572104  1
  Al  Al70  1  0.574551  0.575073  0.572084  1
  Al  Al71  1  0.657931  0.158500  0.538644  1
  Al  Al72  1  0.157977  0.658455  0.538644  1
  Al  Al73  1  0.366245  0.116778  0.555405  1
  Al  Al74  1  0.866294  0.616804  0.555396  1
  Al  Al75  1  0.782701  0.033397  0.588999  1
  Al  Al76  1  0.282955  0.533014  0.588979  1
  Al  Al77  1  0.116255  0.366768  0.555405  1
  Al  Al78  1  0.616281  0.866816  0.555396  1
  Al  Al79  1  0.532494  0.283476  0.588979  1
  Al  Al80  1  0.032875  0.783222  0.588999  1
  Al  Al81  1  0.072335  0.072852  0.672579  1
  Al  Al82  1  0.741074  0.741594  0.605756  1
  Al  Al83  1  0.655819  0.158613  0.639343  1
  Al  Al84  1  0.158094  0.656337  0.639342  1
  Al  Al85  1  0.906837  0.907357  0.639448  1
  Al  Al86  1  0.406878  0.407396  0.639671  1
  Al  Al87  1  0.491020  0.991515  0.605768  1
  Al  Al88  1  0.990995  0.491540  0.605768  1
  Al  Al89  1  0.198930  0.949694  0.622374  1
  Al  Al90  1  0.698935  0.449528  0.622292  1
  Al  Al91  1  0.615060  0.865567  0.656239  1
  Al  Al92  1  0.115404  0.365513  0.656197  1
  Al  Al93  1  0.949176  0.199448  0.622374  1
  Al  Al94  1  0.449011  0.699452  0.622292  1
  Al  Al95  1  0.364994  0.115924  0.656196  1
  Al  Al96  1  0.865046  0.615579  0.656239  1
  Al  Al97  1  0.912127  0.912626  0.734176  1
  Al  Al98  1  0.574112  0.574627  0.671824  1
  Al  Al99  1  0.490810  0.989958  0.704797  1
  Al  Al100  1  0.989439  0.491336  0.704797  1
  Al  Al101  1  0.741566  0.742087  0.705003  1
  Al  Al102  1  0.237164  0.237681  0.704566  1
  Al  Al103  1  0.324251  0.825108  0.672013  1
  Al  Al104  1  0.824593  0.324766  0.672012  1
  Al  Al105  1  0.034616  0.781051  0.688439  1
  Al  Al106  1  0.532029  0.283890  0.689208  1
  Al  Al107  1  0.452339  0.701824  0.719215  1
  Al  Al108  1  0.947935  0.199636  0.720065  1
  Al  Al109  1  0.780532  0.035138  0.688440  1
  Al  Al110  1  0.283367  0.532550  0.689207  1
  Al  Al111  1  0.199122  0.948432  0.720065  1
  Al  Al112  1  0.701324  0.452842  0.719215  1
