# generated using pymatgen
data_Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.93856434
_cell_length_b   8.94070421
_cell_length_c   49.64897512
_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   3887.63427663
_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  0.947709  0.702401  0.318380  1
  Al  Al2  1  0.449515  0.201353  0.319044  1
  Al  Al3  1  0.533703  0.781155  0.284688  1
  Al  Al4  1  0.029472  0.280120  0.283870  1
  Al  Al5  1  0.701791  0.948322  0.318393  1
  Al  Al6  1  0.200763  0.450106  0.319043  1
  Al  Al7  1  0.279534  0.030058  0.283871  1
  Al  Al8  1  0.780566  0.534260  0.284686  1
  Al  Al9  1  0.983525  0.984178  0.298188  1
  Al  Al10  1  0.490282  0.490929  0.300820  1
  Al  Al11  1  0.576807  0.073822  0.270788  1
  Al  Al12  1  0.073324  0.577300  0.270785  1
  Al  Al13  1  0.660270  0.660883  0.334547  1
  Al  Al14  1  0.324184  0.324681  0.270186  1
  Al  Al15  1  0.242569  0.741765  0.301096  1
  Al  Al16  1  0.741124  0.243202  0.301097  1
  Al  Al17  1  0.785745  0.535998  0.384420  1
  Al  Al18  1  0.285199  0.036337  0.384350  1
  Al  Al19  1  0.369304  0.620140  0.350863  1
  Al  Al20  1  0.869857  0.118704  0.350656  1
  Al  Al21  1  0.535356  0.786389  0.384420  1
  Al  Al22  1  0.035692  0.285849  0.384351  1
  Al  Al23  1  0.118055  0.870496  0.350653  1
  Al  Al24  1  0.619500  0.369944  0.350863  1
  Al  Al25  1  0.827685  0.828306  0.368345  1
  Al  Al26  1  0.327025  0.327658  0.368066  1
  Al  Al27  1  0.409304  0.912075  0.334443  1
  Al  Al28  1  0.911456  0.409927  0.334442  1
  Al  Al29  1  0.493731  0.494388  0.401063  1
  Al  Al30  1  0.158050  0.158674  0.333670  1
  Al  Al31  1  0.077013  0.578904  0.367866  1
  Al  Al32  1  0.578270  0.077651  0.367870  1
  Al  Al33  1  0.618382  0.368964  0.451209  1
  Al  Al34  1  0.118415  0.869013  0.451255  1
  Al  Al35  1  0.201809  0.452766  0.417908  1
  Al  Al36  1  0.701846  0.952794  0.418015  1
  Al  Al37  1  0.368286  0.619060  0.451208  1
  Al  Al38  1  0.868336  0.119091  0.451255  1
  Al  Al39  1  0.952139  0.702502  0.418014  1
  Al  Al40  1  0.452105  0.202470  0.417909  1
  Al  Al41  1  0.660062  0.660730  0.434530  1
  Al  Al42  1  0.160205  0.160874  0.434572  1
  Al  Al43  1  0.243551  0.744620  0.400993  1
  Al  Al44  1  0.743963  0.244212  0.400994  1
  Al  Al45  1  0.326591  0.327275  0.467967  1
  Al  Al46  1  0.993990  0.994646  0.401161  1
  Al  Al47  1  0.910123  0.410639  0.434521  1
  Al  Al48  1  0.409969  0.910790  0.434520  1
  Al  Al49  1  0.451127  0.201876  0.518057  1
  Al  Al50  1  0.951095  0.701808  0.518057  1
  Al  Al51  1  0.034703  0.285429  0.484657  1
  Al  Al52  1  0.534665  0.785375  0.484649  1
  Al  Al53  1  0.201170  0.451832  0.518057  1
  Al  Al54  1  0.701103  0.951801  0.518057  1
  Al  Al55  1  0.784684  0.535356  0.484649  1
  Al  Al56  1  0.284739  0.035394  0.484657  1
  Al  Al57  1  0.492944  0.493642  0.501362  1
  Al  Al58  1  0.992909  0.993607  0.501368  1
  Al  Al59  1  0.076581  0.577162  0.468003  1
  Al  Al60  1  0.576480  0.077262  0.468003  1
  Al  Al61  1  0.159277  0.159992  0.534722  1
  Al  Al62  1  0.826514  0.827195  0.467998  1
  Al  Al63  1  0.742925  0.243639  0.501382  1
  Al  Al64  1  0.242942  0.743623  0.501382  1
  Al  Al65  1  0.283343  0.034870  0.584827  1
  Al  Al66  1  0.783977  0.534484  0.584856  1
  Al  Al67  1  0.867577  0.118124  0.551524  1
  Al  Al68  1  0.367549  0.618258  0.551526  1
  Al  Al69  1  0.034133  0.284081  0.584828  1
  Al  Al70  1  0.533752  0.784708  0.584856  1
  Al  Al71  1  0.617539  0.368268  0.551527  1
  Al  Al72  1  0.117404  0.868295  0.551523  1
  Al  Al73  1  0.325755  0.326486  0.568116  1
  Al  Al74  1  0.825778  0.826507  0.568137  1
  Al  Al75  1  0.909298  0.409944  0.534766  1
  Al  Al76  1  0.409232  0.910011  0.534766  1
  Al  Al77  1  0.992169  0.992905  0.601873  1
  Al  Al78  1  0.659291  0.660003  0.534768  1
  Al  Al79  1  0.575698  0.076414  0.568100  1
  Al  Al80  1  0.075683  0.576427  0.568099  1
  Al  Al81  1  0.117652  0.868007  0.652320  1
  Al  Al82  1  0.617271  0.366689  0.651901  1
  Al  Al83  1  0.700353  0.951142  0.618153  1
  Al  Al84  1  0.200090  0.450813  0.618064  1
  Al  Al85  1  0.867250  0.118403  0.652318  1
  Al  Al86  1  0.365928  0.618030  0.651899  1
  Al  Al87  1  0.450053  0.200850  0.618064  1
  Al  Al88  1  0.950390  0.701111  0.618153  1
  Al  Al89  1  0.157958  0.158716  0.635312  1
  Al  Al90  1  0.658419  0.659163  0.634846  1
  Al  Al91  1  0.742259  0.242620  0.601687  1
  Al  Al92  1  0.241878  0.742997  0.601685  1
  Al  Al93  1  0.827565  0.828349  0.667793  1
  Al  Al94  1  0.492170  0.492910  0.601746  1
  Al  Al95  1  0.407018  0.910754  0.634731  1
  Al  Al96  1  0.909997  0.407784  0.634736  1
  Al  Al97  1  0.954798  0.702212  0.716773  1
  Al  Al98  1  0.453330  0.204113  0.716744  1
  Al  Al99  1  0.534316  0.789819  0.683488  1
  Al  Al100  1  0.036442  0.287781  0.685742  1
  Al  Al101  1  0.701340  0.955624  0.716771  1
  Al  Al102  1  0.203259  0.454190  0.716746  1
  Al  Al103  1  0.287033  0.037190  0.685741  1
  Al  Al104  1  0.789057  0.535081  0.683501  1
  Al  Al105  1  0.997368  0.998153  0.703062  1
  Al  Al106  1  0.494329  0.495110  0.701053  1
  Al  Al107  1  0.577779  0.078198  0.667848  1
  Al  Al108  1  0.077411  0.578575  0.667850  1
  Al  Al109  1  0.661236  0.662141  0.730806  1
  Al  Al110  1  0.325409  0.326207  0.667411  1
  Al  Al111  1  0.252665  0.749680  0.703645  1
  Al  Al112  1  0.748894  0.253416  0.703641  1
