# generated using pymatgen
data_Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.93919710
_cell_length_b   8.94097179
_cell_length_c   49.64736756
_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   3887.89994437
_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  0.983480  0.984158  0.298210  1
  Al  Al2  1  0.490228  0.490901  0.300837  1
  Al  Al3  1  0.576712  0.073809  0.270808  1
  Al  Al4  1  0.073260  0.577257  0.270806  1
  Al  Al5  1  0.660220  0.660865  0.334566  1
  Al  Al6  1  0.324107  0.324656  0.270207  1
  Al  Al7  1  0.242512  0.741735  0.301113  1
  Al  Al8  1  0.741067  0.243174  0.301114  1
  Al  Al9  1  0.947655  0.702382  0.318399  1
  Al  Al10  1  0.449459  0.201335  0.319065  1
  Al  Al11  1  0.533641  0.781133  0.284708  1
  Al  Al12  1  0.029412  0.280093  0.283891  1
  Al  Al13  1  0.701740  0.948299  0.318410  1
  Al  Al14  1  0.200710  0.450086  0.319064  1
  Al  Al15  1  0.279470  0.030034  0.283892  1
  Al  Al16  1  0.780507  0.534239  0.284706  1
  Al  Al17  1  0.827638  0.828290  0.368363  1
  Al  Al18  1  0.326982  0.327642  0.368085  1
  Al  Al19  1  0.409255  0.912056  0.334461  1
  Al  Al20  1  0.911405  0.409908  0.334460  1
  Al  Al21  1  0.493690  0.494371  0.401080  1
  Al  Al22  1  0.158004  0.158658  0.333691  1
  Al  Al23  1  0.076967  0.578888  0.367884  1
  Al  Al24  1  0.578226  0.077632  0.367887  1
  Al  Al25  1  0.785701  0.535981  0.384438  1
  Al  Al26  1  0.285157  0.036320  0.384368  1
  Al  Al27  1  0.369259  0.620122  0.350880  1
  Al  Al28  1  0.869809  0.118686  0.350674  1
  Al  Al29  1  0.535312  0.786372  0.384438  1
  Al  Al30  1  0.035648  0.285832  0.384369  1
  Al  Al31  1  0.118011  0.870476  0.350672  1
  Al  Al32  1  0.619455  0.369926  0.350880  1
  Al  Al33  1  0.660024  0.660714  0.434547  1
  Al  Al34  1  0.160167  0.160857  0.434589  1
  Al  Al35  1  0.243510  0.744602  0.401010  1
  Al  Al36  1  0.743921  0.244195  0.401011  1
  Al  Al37  1  0.326556  0.327259  0.467983  1
  Al  Al38  1  0.993948  0.994629  0.401178  1
  Al  Al39  1  0.910084  0.410623  0.434538  1
  Al  Al40  1  0.409931  0.910774  0.434538  1
  Al  Al41  1  0.618346  0.368948  0.451225  1
  Al  Al42  1  0.118378  0.868997  0.451271  1
  Al  Al43  1  0.201769  0.452750  0.417926  1
  Al  Al44  1  0.701806  0.952778  0.418032  1
  Al  Al45  1  0.368250  0.619044  0.451225  1
  Al  Al46  1  0.868299  0.119075  0.451271  1
  Al  Al47  1  0.952098  0.702486  0.418032  1
  Al  Al48  1  0.452066  0.202453  0.417926  1
  Al  Al49  1  0.492912  0.493627  0.501378  1
  Al  Al50  1  0.992877  0.993592  0.501384  1
  Al  Al51  1  0.076545  0.577147  0.468019  1
  Al  Al52  1  0.576444  0.077247  0.468019  1
  Al  Al53  1  0.159249  0.159978  0.534738  1
  Al  Al54  1  0.826478  0.827180  0.468015  1
  Al  Al55  1  0.742893  0.243624  0.501398  1
  Al  Al56  1  0.242909  0.743608  0.501398  1
  Al  Al57  1  0.451096  0.201861  0.518073  1
  Al  Al58  1  0.951065  0.701794  0.518073  1
  Al  Al59  1  0.034669  0.285414  0.484673  1
  Al  Al60  1  0.534631  0.785359  0.484665  1
  Al  Al61  1  0.201139  0.451818  0.518073  1
  Al  Al62  1  0.701072  0.951786  0.518073  1
  Al  Al63  1  0.784650  0.535340  0.484665  1
  Al  Al64  1  0.284705  0.035379  0.484673  1
  Al  Al65  1  0.325730  0.326472  0.568131  1
  Al  Al66  1  0.825752  0.826493  0.568152  1
  Al  Al67  1  0.909269  0.409930  0.534782  1
  Al  Al68  1  0.409203  0.909997  0.534782  1
  Al  Al69  1  0.992146  0.992893  0.601888  1
  Al  Al70  1  0.659262  0.659989  0.534784  1
  Al  Al71  1  0.575672  0.076400  0.568115  1
  Al  Al72  1  0.075658  0.576413  0.568114  1
  Al  Al73  1  0.283319  0.034857  0.584842  1
  Al  Al74  1  0.783952  0.534470  0.584871  1
  Al  Al75  1  0.867549  0.118110  0.551539  1
  Al  Al76  1  0.367521  0.618244  0.551542  1
  Al  Al77  1  0.034110  0.284067  0.584843  1
  Al  Al78  1  0.533727  0.784694  0.584871  1
  Al  Al79  1  0.617512  0.368254  0.551542  1
  Al  Al80  1  0.117377  0.868281  0.551539  1
  Al  Al81  1  0.157939  0.158704  0.635327  1
  Al  Al82  1  0.658399  0.659151  0.634860  1
  Al  Al83  1  0.742235  0.242607  0.601701  1
  Al  Al84  1  0.241856  0.742984  0.601700  1
  Al  Al85  1  0.827551  0.828337  0.667806  1
  Al  Al86  1  0.492148  0.492897  0.601761  1
  Al  Al87  1  0.406998  0.910742  0.634746  1
  Al  Al88  1  0.909978  0.407769  0.634750  1
  Al  Al89  1  0.117632  0.867995  0.652333  1
  Al  Al90  1  0.617253  0.366679  0.651915  1
  Al  Al91  1  0.700333  0.951128  0.618167  1
  Al  Al92  1  0.200070  0.450799  0.618078  1
  Al  Al93  1  0.867232  0.118391  0.652332  1
  Al  Al94  1  0.365911  0.618019  0.651914  1
  Al  Al95  1  0.450033  0.200837  0.618078  1
  Al  Al96  1  0.950369  0.701097  0.618167  1
  Al  Al97  1  0.997357  0.998144  0.703073  1
  Al  Al98  1  0.494328  0.495111  0.701069  1
  Al  Al99  1  0.577766  0.078184  0.667860  1
  Al  Al100  1  0.077396  0.578562  0.667862  1
  Al  Al101  1  0.661254  0.662140  0.730819  1
  Al  Al102  1  0.325399  0.326197  0.667424  1
  Al  Al103  1  0.252648  0.749673  0.703656  1
  Al  Al104  1  0.748885  0.253407  0.703652  1
  Al  Al105  1  0.954797  0.702203  0.716785  1
  Al  Al106  1  0.453337  0.204107  0.716755  1
  Al  Al107  1  0.534301  0.789815  0.683503  1
  Al  Al108  1  0.036429  0.287777  0.685756  1
  Al  Al109  1  0.701344  0.955618  0.716783  1
  Al  Al110  1  0.203263  0.454186  0.716757  1
  Al  Al111  1  0.287020  0.037185  0.685755  1
  Al  Al112  1  0.789047  0.535072  0.683513  1
