# generated using pymatgen
data_Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.63905976
_cell_length_b   12.64539313
_cell_length_c   47.59276218
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   84.26082952
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al
_chemical_formula_sum   Al216
_cell_volume   7568.42673766
_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  0.136713  0.470147  0.304687  1
  Al  Al2  1  0.470046  0.136813  0.304687  1
  Al  Al3  1  0.443116  0.443163  0.331696  1
  Al  Al4  1  0.803379  0.803480  0.304687  1
  Al  Al5  1  0.776449  0.109830  0.331696  1
  Al  Al6  1  0.833902  0.500558  0.281375  1
  Al  Al7  1  0.109783  0.776497  0.331696  1
  Al  Al8  1  0.167236  0.167224  0.281375  1
  Al  Al9  1  0.500569  0.833891  0.281375  1
  Al  Al10  1  1.000569  0.333891  0.281375  1
  Al  Al11  1  0.333902  1.000558  0.281375  1
  Al  Al12  1  0.303379  0.303480  0.304687  1
  Al  Al13  1  0.667236  0.667224  0.281375  1
  Al  Al14  1  0.636713  0.970147  0.304687  1
  Al  Al15  1  0.609783  0.276497  0.331696  1
  Al  Al16  1  0.970046  0.636813  0.304687  1
  Al  Al17  1  0.943116  0.943163  0.331696  1
  Al  Al18  1  0.276449  0.609830  0.331696  1
  Al  Al19  1  0.109783  0.276497  0.331696  1
  Al  Al20  1  0.443116  0.943163  0.331696  1
  Al  Al21  1  0.500569  0.333891  0.281375  1
  Al  Al22  1  0.776449  0.609830  0.331696  1
  Al  Al23  1  0.833902  1.000558  0.281375  1
  Al  Al24  1  0.803379  0.303480  0.304687  1
  Al  Al25  1  0.167236  0.667224  0.281375  1
  Al  Al26  1  0.136713  0.970147  0.304687  1
  Al  Al27  1  0.470046  0.636813  0.304687  1
  Al  Al28  1  0.943116  0.443163  0.331696  1
  Al  Al29  1  0.276449  0.109830  0.331696  1
  Al  Al30  1  0.333902  0.500558  0.281375  1
  Al  Al31  1  0.609783  0.776497  0.331696  1
  Al  Al32  1  0.667236  0.167224  0.281375  1
  Al  Al33  1  0.636713  0.470147  0.304687  1
  Al  Al34  1  1.000569  0.833891  0.281375  1
  Al  Al35  1  0.970046  0.136813  0.304687  1
  Al  Al36  1  0.303379  0.803480  0.304687  1
  Al  Al37  1  0.050204  0.383617  0.382393  1
  Al  Al38  1  0.383537  0.050284  0.382393  1
  Al  Al39  1  0.352812  0.352926  0.407714  1
  Al  Al40  1  0.716870  0.716950  0.382393  1
  Al  Al41  1  0.686145  0.019592  0.407714  1
  Al  Al42  1  0.746699  0.413466  0.355938  1
  Al  Al43  1  0.019479  0.686259  0.407714  1
  Al  Al44  1  0.080033  0.080133  0.355938  1
  Al  Al45  1  0.413366  0.746799  0.355938  1
  Al  Al46  1  0.913366  0.246799  0.355938  1
  Al  Al47  1  0.246699  0.913466  0.355938  1
  Al  Al48  1  0.216870  0.216950  0.382393  1
  Al  Al49  1  0.580033  0.580133  0.355938  1
  Al  Al50  1  0.550204  0.883617  0.382393  1
  Al  Al51  1  0.519479  0.186259  0.407714  1
  Al  Al52  1  0.883537  0.550284  0.382393  1
  Al  Al53  1  0.852812  0.852926  0.407714  1
  Al  Al54  1  0.186145  0.519592  0.407714  1
  Al  Al55  1  0.019479  0.186259  0.407714  1
  Al  Al56  1  0.352812  0.852926  0.407714  1
  Al  Al57  1  0.413366  0.246799  0.355938  1
  Al  Al58  1  0.686145  0.519592  0.407714  1
  Al  Al59  1  0.746699  0.913466  0.355938  1
  Al  Al60  1  0.716870  0.216950  0.382393  1
  Al  Al61  1  0.080033  0.580133  0.355938  1
  Al  Al62  1  0.050204  0.883617  0.382393  1
  Al  Al63  1  0.383537  0.550284  0.382393  1
  Al  Al64  1  0.852812  0.352926  0.407714  1
  Al  Al65  1  0.186145  0.019592  0.407714  1
  Al  Al66  1  0.246699  0.413466  0.355938  1
  Al  Al67  1  0.519479  0.686259  0.407714  1
  Al  Al68  1  0.580033  0.080133  0.355938  1
  Al  Al69  1  0.550204  0.383617  0.382393  1
  Al  Al70  1  0.913366  0.746799  0.355938  1
  Al  Al71  1  0.883537  0.050284  0.382393  1
  Al  Al72  1  0.216870  0.716950  0.382393  1
  Al  Al73  1  0.958611  0.292079  0.459307  1
  Al  Al74  1  0.291944  0.958746  0.459307  1
  Al  Al75  1  0.261557  0.261698  0.485158  1
  Al  Al76  1  0.625278  0.625413  0.459307  1
  Al  Al77  1  0.594891  0.928365  0.485158  1
  Al  Al78  1  0.655831  0.322611  0.433721  1
  Al  Al79  1  0.928224  0.595032  0.485158  1
  Al  Al80  1  0.989164  0.989277  0.433721  1
  Al  Al81  1  0.322498  0.655944  0.433721  1
  Al  Al82  1  0.822498  0.155944  0.433721  1
  Al  Al83  1  0.155831  0.822611  0.433721  1
  Al  Al84  1  0.125278  0.125413  0.459307  1
  Al  Al85  1  0.489164  0.489277  0.433721  1
  Al  Al86  1  0.458611  0.792079  0.459307  1
  Al  Al87  1  0.428224  0.095032  0.485158  1
  Al  Al88  1  0.791944  0.458746  0.459307  1
  Al  Al89  1  0.761557  0.761698  0.485158  1
  Al  Al90  1  0.094891  0.428365  0.485158  1
  Al  Al91  1  0.928224  0.095032  0.485158  1
  Al  Al92  1  0.261557  0.761698  0.485158  1
  Al  Al93  1  0.322498  0.155944  0.433721  1
  Al  Al94  1  0.594891  0.428365  0.485158  1
  Al  Al95  1  0.655831  0.822611  0.433721  1
  Al  Al96  1  0.625278  0.125413  0.459307  1
  Al  Al97  1  0.989164  0.489277  0.433721  1
  Al  Al98  1  0.958611  0.792079  0.459307  1
  Al  Al99  1  0.291944  0.458746  0.459307  1
  Al  Al100  1  0.761557  0.261698  0.485158  1
  Al  Al101  1  0.094891  0.928365  0.485158  1
  Al  Al102  1  0.155831  0.322611  0.433721  1
  Al  Al103  1  0.428224  0.595032  0.485158  1
  Al  Al104  1  0.489164  0.989277  0.433721  1
  Al  Al105  1  0.458611  0.292079  0.459307  1
  Al  Al106  1  0.822498  0.655944  0.433721  1
  Al  Al107  1  0.791944  0.958746  0.459307  1
  Al  Al108  1  0.125278  0.625413  0.459307  1
  Al  Al109  1  0.867325  0.200825  0.536658  1
  Al  Al110  1  0.200659  0.867491  0.536658  1
  Al  Al111  1  0.170105  0.170293  0.562244  1
  Al  Al112  1  0.533992  0.534158  0.536658  1
  Al  Al113  1  0.503439  0.836960  0.562244  1
  Al  Al114  1  0.564379  0.231205  0.510807  1
  Al  Al115  1  0.836772  0.503627  0.562244  1
  Al  Al116  1  0.897712  0.897872  0.510807  1
  Al  Al117  1  0.231046  0.564539  0.510807  1
  Al  Al118  1  0.731046  0.064539  0.510807  1
  Al  Al119  1  0.064379  0.731205  0.510807  1
  Al  Al120  1  0.033992  0.034158  0.536658  1
  Al  Al121  1  0.397712  0.397872  0.510807  1
  Al  Al122  1  0.367325  0.700825  0.536658  1
  Al  Al123  1  0.336772  1.003627  0.562244  1
  Al  Al124  1  0.700659  0.367491  0.536658  1
  Al  Al125  1  0.670105  0.670293  0.562244  1
  Al  Al126  1  1.003439  0.336960  0.562244  1
  Al  Al127  1  0.836772  1.003627  0.562244  1
  Al  Al128  1  0.170105  0.670293  0.562244  1
  Al  Al129  1  0.231046  0.064539  0.510807  1
  Al  Al130  1  0.503439  0.336960  0.562244  1
  Al  Al131  1  0.564379  0.731205  0.510807  1
  Al  Al132  1  0.533992  0.034158  0.536658  1
  Al  Al133  1  0.897712  0.397872  0.510807  1
  Al  Al134  1  0.867325  0.700825  0.536658  1
  Al  Al135  1  0.200659  0.367491  0.536658  1
  Al  Al136  1  0.670105  0.170293  0.562244  1
  Al  Al137  1  1.003439  0.836960  0.562244  1
  Al  Al138  1  0.064379  0.231205  0.510807  1
  Al  Al139  1  0.336772  0.503627  0.562244  1
  Al  Al140  1  0.397712  0.897872  0.510807  1
  Al  Al141  1  0.367325  0.200825  0.536658  1
  Al  Al142  1  0.731046  0.564539  0.510807  1
  Al  Al143  1  0.700659  0.867491  0.536658  1
  Al  Al144  1  0.033992  0.534158  0.536658  1
  Al  Al145  1  0.775733  0.109287  0.613572  1
  Al  Al146  1  0.109066  0.775953  0.613572  1
  Al  Al147  1  0.079237  0.079438  0.640027  1
  Al  Al148  1  0.442399  0.442620  0.613572  1
  Al  Al149  1  0.412570  0.746104  0.640027  1
  Al  Al150  1  0.473124  0.139978  0.588251  1
  Al  Al151  1  0.745904  0.412771  0.640027  1
  Al  Al152  1  0.806458  0.806645  0.588251  1
  Al  Al153  1  0.139791  0.473312  0.588251  1
  Al  Al154  1  0.639791  0.973312  0.588251  1
  Al  Al155  1  0.973124  0.639978  0.588251  1
  Al  Al156  1  0.942399  0.942620  0.613572  1
  Al  Al157  1  0.306458  0.306645  0.588251  1
  Al  Al158  1  0.275733  0.609287  0.613572  1
  Al  Al159  1  0.245904  0.912771  0.640027  1
  Al  Al160  1  0.609066  0.275953  0.613572  1
  Al  Al161  1  0.579237  0.579438  0.640027  1
  Al  Al162  1  0.912570  0.246104  0.640027  1
  Al  Al163  1  0.745904  0.912771  0.640027  1
  Al  Al164  1  0.079237  0.579438  0.640027  1
  Al  Al165  1  0.139791  0.973312  0.588251  1
  Al  Al166  1  0.412570  0.246104  0.640027  1
  Al  Al167  1  0.473124  0.639978  0.588251  1
  Al  Al168  1  0.442399  0.942620  0.613572  1
  Al  Al169  1  0.806458  0.306645  0.588251  1
  Al  Al170  1  0.775733  0.609287  0.613572  1
  Al  Al171  1  0.109066  0.275953  0.613572  1
  Al  Al172  1  0.579237  0.079438  0.640027  1
  Al  Al173  1  0.912570  0.746104  0.640027  1
  Al  Al174  1  0.973124  0.139978  0.588251  1
  Al  Al175  1  0.245904  0.412771  0.640027  1
  Al  Al176  1  0.306458  0.806645  0.588251  1
  Al  Al177  1  0.275733  0.109287  0.613572  1
  Al  Al178  1  0.639791  0.473312  0.588251  1
  Al  Al179  1  0.609066  0.775953  0.613572  1
  Al  Al180  1  0.942399  0.442620  0.613572  1
  Al  Al181  1  0.689224  0.022757  0.691278  1
  Al  Al182  1  0.022557  0.689424  0.691278  1
  Al  Al183  1  0.992034  0.992346  0.714590  1
  Al  Al184  1  0.355890  0.356091  0.691278  1
  Al  Al185  1  0.325367  0.659013  0.714590  1
  Al  Al186  1  0.382820  0.049740  0.664269  1
  Al  Al187  1  0.658701  0.325679  0.714590  1
  Al  Al188  1  0.716154  0.716407  0.664269  1
  Al  Al189  1  0.049487  0.383074  0.664269  1
  Al  Al190  1  0.549487  0.883074  0.664269  1
  Al  Al191  1  0.882820  0.549740  0.664269  1
  Al  Al192  1  0.855890  0.856091  0.691278  1
  Al  Al193  1  0.216154  0.216407  0.664269  1
  Al  Al194  1  0.189224  0.522757  0.691278  1
  Al  Al195  1  0.158701  0.825679  0.714590  1
  Al  Al196  1  0.522557  0.189424  0.691278  1
  Al  Al197  1  0.492034  0.492346  0.714590  1
  Al  Al198  1  0.825367  0.159013  0.714590  1
  Al  Al199  1  0.658701  0.825679  0.714590  1
  Al  Al200  1  0.992034  0.492346  0.714590  1
  Al  Al201  1  0.049487  0.883074  0.664269  1
  Al  Al202  1  0.325367  0.159013  0.714590  1
  Al  Al203  1  0.382820  0.549740  0.664269  1
  Al  Al204  1  0.355890  0.856091  0.691278  1
  Al  Al205  1  0.716154  0.216407  0.664269  1
  Al  Al206  1  0.689224  0.522757  0.691278  1
  Al  Al207  1  0.022557  0.189424  0.691278  1
  Al  Al208  1  0.492034  0.992346  0.714590  1
  Al  Al209  1  0.825367  0.659013  0.714590  1
  Al  Al210  1  0.882820  0.049740  0.664269  1
  Al  Al211  1  0.158701  0.325679  0.714590  1
  Al  Al212  1  0.216154  0.716407  0.664269  1
  Al  Al213  1  0.189224  0.022757  0.691278  1
  Al  Al214  1  0.549487  0.383074  0.664269  1
  Al  Al215  1  0.522557  0.689424  0.691278  1
  Al  Al216  1  0.855890  0.356091  0.691278  1
