# generated using pymatgen
data_Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.62861702
_cell_length_b   12.63136061
_cell_length_c   47.59580926
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   84.26082953
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al
_chemical_formula_sum   Al216
_cell_volume   7554.26541673
_cell_formula_units_Z   216
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  0.109693  0.443279  0.330912  1
  Al  Al2  1  0.443026  0.109946  0.330912  1
  Al  Al3  1  0.504232  0.504466  0.280133  1
  Al  Al4  1  0.776360  0.776613  0.330912  1
  Al  Al5  1  0.837565  0.171133  0.280133  1
  Al  Al6  1  0.805899  0.472830  0.304079  1
  Al  Al7  1  0.170898  0.837800  0.280133  1
  Al  Al8  1  0.139232  0.139497  0.304079  1
  Al  Al9  1  0.472565  0.806164  0.304079  1
  Al  Al10  1  0.972565  0.306164  0.304079  1
  Al  Al11  1  0.305899  0.972830  0.304079  1
  Al  Al12  1  0.276360  0.276613  0.330912  1
  Al  Al13  1  0.639232  0.639497  0.304079  1
  Al  Al14  1  0.609693  0.943279  0.330912  1
  Al  Al15  1  0.670898  0.337800  0.280133  1
  Al  Al16  1  0.943026  0.609946  0.330912  1
  Al  Al17  1  0.004232  0.004466  0.280133  1
  Al  Al18  1  0.337565  0.671133  0.280133  1
  Al  Al19  1  0.170898  0.337800  0.280133  1
  Al  Al20  1  0.504232  0.004466  0.280133  1
  Al  Al21  1  0.472565  0.306164  0.304079  1
  Al  Al22  1  0.837565  0.671133  0.280133  1
  Al  Al23  1  0.805899  0.972830  0.304079  1
  Al  Al24  1  0.776360  0.276613  0.330912  1
  Al  Al25  1  0.139232  0.639497  0.304079  1
  Al  Al26  1  0.109693  0.943279  0.330912  1
  Al  Al27  1  0.443026  0.609946  0.330912  1
  Al  Al28  1  0.004232  0.504466  0.280133  1
  Al  Al29  1  0.337565  0.171133  0.280133  1
  Al  Al30  1  0.305899  0.472830  0.304079  1
  Al  Al31  1  0.670898  0.837800  0.280133  1
  Al  Al32  1  0.639232  0.139497  0.304079  1
  Al  Al33  1  0.609693  0.443279  0.330912  1
  Al  Al34  1  0.972565  0.806164  0.304079  1
  Al  Al35  1  0.943026  0.109946  0.330912  1
  Al  Al36  1  0.276360  0.776613  0.330912  1
  Al  Al37  1  0.018966  0.352564  0.407128  1
  Al  Al38  1  0.352300  0.019230  0.407128  1
  Al  Al39  1  0.412809  0.413071  0.355478  1
  Al  Al40  1  0.685633  0.685897  0.407128  1
  Al  Al41  1  0.746143  0.079737  0.355478  1
  Al  Al42  1  0.716182  0.383109  0.381699  1
  Al  Al43  1  0.079476  0.746404  0.355478  1
  Al  Al44  1  0.049515  0.049775  0.381699  1
  Al  Al45  1  0.382849  0.716442  0.381699  1
  Al  Al46  1  0.882849  0.216442  0.381699  1
  Al  Al47  1  0.216182  0.883109  0.381699  1
  Al  Al48  1  0.185633  0.185897  0.407128  1
  Al  Al49  1  0.549515  0.549775  0.381699  1
  Al  Al50  1  0.518966  0.852564  0.407128  1
  Al  Al51  1  0.579476  0.246404  0.355478  1
  Al  Al52  1  0.852300  0.519230  0.407128  1
  Al  Al53  1  0.912809  0.913071  0.355478  1
  Al  Al54  1  0.246143  0.579737  0.355478  1
  Al  Al55  1  0.079476  0.246404  0.355478  1
  Al  Al56  1  0.412809  0.913071  0.355478  1
  Al  Al57  1  0.382849  0.216442  0.381699  1
  Al  Al58  1  0.746143  0.579737  0.355478  1
  Al  Al59  1  0.716182  0.883109  0.381699  1
  Al  Al60  1  0.685633  0.185897  0.407128  1
  Al  Al61  1  0.049515  0.549775  0.381699  1
  Al  Al62  1  0.018966  0.852564  0.407128  1
  Al  Al63  1  0.352300  0.519230  0.407128  1
  Al  Al64  1  0.912809  0.413071  0.355478  1
  Al  Al65  1  0.246143  0.079737  0.355478  1
  Al  Al66  1  0.216182  0.383109  0.381699  1
  Al  Al67  1  0.579476  0.746404  0.355478  1
  Al  Al68  1  0.549515  0.049775  0.381699  1
  Al  Al69  1  0.518966  0.352564  0.407128  1
  Al  Al70  1  0.882849  0.716442  0.381699  1
  Al  Al71  1  0.852300  0.019230  0.407128  1
  Al  Al72  1  0.185633  0.685897  0.407128  1
  Al  Al73  1  0.927835  0.261439  0.484349  1
  Al  Al74  1  0.261168  0.928105  0.484349  1
  Al  Al75  1  0.321968  0.322234  0.432972  1
  Al  Al76  1  0.594501  0.594772  0.484349  1
  Al  Al77  1  0.655301  0.988900  0.432972  1
  Al  Al78  1  0.624871  0.291806  0.458608  1
  Al  Al79  1  0.988635  0.655567  0.432972  1
  Al  Al80  1  0.958205  0.958473  0.458608  1
  Al  Al81  1  0.291538  0.625140  0.458608  1
  Al  Al82  1  0.791538  0.125140  0.458608  1
  Al  Al83  1  0.124871  0.791806  0.458608  1
  Al  Al84  1  0.094501  0.094772  0.484349  1
  Al  Al85  1  0.458205  0.458473  0.458608  1
  Al  Al86  1  0.427835  0.761439  0.484349  1
  Al  Al87  1  0.488635  0.155567  0.432972  1
  Al  Al88  1  0.761168  0.428105  0.484349  1
  Al  Al89  1  0.821968  0.822234  0.432972  1
  Al  Al90  1  0.155301  0.488900  0.432972  1
  Al  Al91  1  0.988635  0.155567  0.432972  1
  Al  Al92  1  0.321968  0.822234  0.432972  1
  Al  Al93  1  0.291538  0.125140  0.458608  1
  Al  Al94  1  0.655301  0.488900  0.432972  1
  Al  Al95  1  0.624871  0.791806  0.458608  1
  Al  Al96  1  0.594501  0.094772  0.484349  1
  Al  Al97  1  0.958205  0.458473  0.458608  1
  Al  Al98  1  0.927835  0.761439  0.484349  1
  Al  Al99  1  0.261168  0.428105  0.484349  1
  Al  Al100  1  0.821968  0.322234  0.432972  1
  Al  Al101  1  0.155301  0.988900  0.432972  1
  Al  Al102  1  0.124871  0.291806  0.458608  1
  Al  Al103  1  0.488635  0.655567  0.432972  1
  Al  Al104  1  0.458205  0.958473  0.458608  1
  Al  Al105  1  0.427835  0.261439  0.484349  1
  Al  Al106  1  0.791538  0.625140  0.458608  1
  Al  Al107  1  0.761168  0.928105  0.484349  1
  Al  Al108  1  0.094501  0.594772  0.484349  1
  Al  Al109  1  0.836629  0.170240  0.561399  1
  Al  Al110  1  0.169962  0.836907  0.561399  1
  Al  Al111  1  0.230762  0.231035  0.510023  1
  Al  Al112  1  0.503295  0.503574  0.561399  1
  Al  Al113  1  0.564095  0.897702  0.510023  1
  Al  Al114  1  0.533725  0.200667  0.535764  1
  Al  Al115  1  0.897429  0.564368  0.510023  1
  Al  Al116  1  0.867059  0.867334  0.535764  1
  Al  Al117  1  0.200392  0.534001  0.535764  1
  Al  Al118  1  0.700392  0.034001  0.535764  1
  Al  Al119  1  0.033725  0.700667  0.535764  1
  Al  Al120  1  1.003295  1.003574  0.561399  1
  Al  Al121  1  0.367059  0.367334  0.535764  1
  Al  Al122  1  0.336629  0.670240  0.561399  1
  Al  Al123  1  0.397429  0.064368  0.510023  1
  Al  Al124  1  0.669962  0.336907  0.561399  1
  Al  Al125  1  0.730762  0.731035  0.510023  1
  Al  Al126  1  0.064095  0.397702  0.510023  1
  Al  Al127  1  0.897429  0.064368  0.510023  1
  Al  Al128  1  0.230762  0.731035  0.510023  1
  Al  Al129  1  0.200392  0.034001  0.535764  1
  Al  Al130  1  0.564095  0.397702  0.510023  1
  Al  Al131  1  0.533725  0.700667  0.535764  1
  Al  Al132  1  0.503295  1.003574  0.561399  1
  Al  Al133  1  0.867059  0.367334  0.535764  1
  Al  Al134  1  0.836629  0.670240  0.561399  1
  Al  Al135  1  0.169962  0.336907  0.561399  1
  Al  Al136  1  0.730762  0.231035  0.510023  1
  Al  Al137  1  0.064095  0.897702  0.510023  1
  Al  Al138  1  0.033725  0.200667  0.535764  1
  Al  Al139  1  0.397429  0.564368  0.510023  1
  Al  Al140  1  0.367059  0.867334  0.535764  1
  Al  Al141  1  0.336629  0.170240  0.561399  1
  Al  Al142  1  0.700392  0.534001  0.535764  1
  Al  Al143  1  0.669962  0.836907  0.561399  1
  Al  Al144  1  1.003295  0.503574  0.561399  1
  Al  Al145  1  0.745787  0.079403  0.638894  1
  Al  Al146  1  0.079121  0.746070  0.638894  1
  Al  Al147  1  0.139630  0.139910  0.587243  1
  Al  Al148  1  0.412454  0.412737  0.638894  1
  Al  Al149  1  0.472964  0.806577  0.587243  1
  Al  Al150  1  0.442415  0.109365  0.612673  1
  Al  Al151  1  0.806297  0.473243  0.587243  1
  Al  Al152  1  0.775748  0.776032  0.612673  1
  Al  Al153  1  0.109081  0.442698  0.612673  1
  Al  Al154  1  0.609081  0.942698  0.612673  1
  Al  Al155  1  0.942415  0.609365  0.612673  1
  Al  Al156  1  0.912454  0.912737  0.638894  1
  Al  Al157  1  0.275748  0.276032  0.612673  1
  Al  Al158  1  0.245787  0.579403  0.638894  1
  Al  Al159  1  0.306297  0.973243  0.587243  1
  Al  Al160  1  0.579121  0.246070  0.638894  1
  Al  Al161  1  0.639630  0.639910  0.587243  1
  Al  Al162  1  0.972964  0.306577  0.587243  1
  Al  Al163  1  0.806297  0.973243  0.587243  1
  Al  Al164  1  0.139630  0.639910  0.587243  1
  Al  Al165  1  0.109081  0.942698  0.612673  1
  Al  Al166  1  0.472964  0.306577  0.587243  1
  Al  Al167  1  0.442415  0.609365  0.612673  1
  Al  Al168  1  0.412454  0.912737  0.638894  1
  Al  Al169  1  0.775748  0.276032  0.612673  1
  Al  Al170  1  0.745787  0.579403  0.638894  1
  Al  Al171  1  0.079121  0.246070  0.638894  1
  Al  Al172  1  0.639630  0.139910  0.587243  1
  Al  Al173  1  0.972964  0.806577  0.587243  1
  Al  Al174  1  0.942415  0.109365  0.612673  1
  Al  Al175  1  0.306297  0.473243  0.587243  1
  Al  Al176  1  0.275748  0.776032  0.612673  1
  Al  Al177  1  0.245787  0.079403  0.638894  1
  Al  Al178  1  0.609081  0.442698  0.612673  1
  Al  Al179  1  0.579121  0.746070  0.638894  1
  Al  Al180  1  0.912454  0.412737  0.638894  1
  Al  Al181  1  0.654365  0.988007  0.714239  1
  Al  Al182  1  0.987698  0.654674  0.714239  1
  Al  Al183  1  0.048904  0.049194  0.663460  1
  Al  Al184  1  0.321032  0.321341  0.714239  1
  Al  Al185  1  0.382237  0.715861  0.663460  1
  Al  Al186  1  0.352698  0.019643  0.690292  1
  Al  Al187  1  0.715570  0.382528  0.663460  1
  Al  Al188  1  0.686031  0.686310  0.690292  1
  Al  Al189  1  0.019365  0.352977  0.690292  1
  Al  Al190  1  0.519365  0.852977  0.690292  1
  Al  Al191  1  0.852698  0.519643  0.690292  1
  Al  Al192  1  0.821032  0.821341  0.714239  1
  Al  Al193  1  0.186031  0.186310  0.690292  1
  Al  Al194  1  0.154365  0.488007  0.714239  1
  Al  Al195  1  0.215570  0.882528  0.663460  1
  Al  Al196  1  0.487698  0.154674  0.714239  1
  Al  Al197  1  0.548904  0.549194  0.663460  1
  Al  Al198  1  0.882237  0.215861  0.663460  1
  Al  Al199  1  0.715570  0.882528  0.663460  1
  Al  Al200  1  0.048904  0.549194  0.663460  1
  Al  Al201  1  0.019365  0.852977  0.690292  1
  Al  Al202  1  0.382237  0.215861  0.663460  1
  Al  Al203  1  0.352698  0.519643  0.690292  1
  Al  Al204  1  0.321032  0.821341  0.714239  1
  Al  Al205  1  0.686031  0.186310  0.690292  1
  Al  Al206  1  0.654365  0.488007  0.714239  1
  Al  Al207  1  0.987698  0.154674  0.714239  1
  Al  Al208  1  0.548904  0.049194  0.663460  1
  Al  Al209  1  0.882237  0.715861  0.663460  1
  Al  Al210  1  0.852698  0.019643  0.690292  1
  Al  Al211  1  0.215570  0.382528  0.663460  1
  Al  Al212  1  0.186031  0.686310  0.690292  1
  Al  Al213  1  0.154365  0.988007  0.714239  1
  Al  Al214  1  0.519365  0.352977  0.690292  1
  Al  Al215  1  0.487698  0.654674  0.714239  1
  Al  Al216  1  0.821032  0.321341  0.714239  1
