# generated using pymatgen
data_Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.68675093
_cell_length_b   12.68504818
_cell_length_c   47.35550916
_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   7582.81818323
_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  0.109317  0.442999  0.333807  1
  Al  Al2  1  0.442651  0.109666  0.333807  1
  Al  Al3  1  0.502721  0.503076  0.285384  1
  Al  Al4  1  0.775984  0.776333  0.333807  1
  Al  Al5  1  0.836054  0.169742  0.285384  1
  Al  Al6  1  0.805436  0.472442  0.307706  1
  Al  Al7  1  0.169388  0.836409  0.285384  1
  Al  Al8  1  0.138769  0.139109  0.307706  1
  Al  Al9  1  0.472103  0.805775  0.307706  1
  Al  Al10  1  0.972103  0.305775  0.307706  1
  Al  Al11  1  0.305436  0.972442  0.307706  1
  Al  Al12  1  0.275984  0.276333  0.333807  1
  Al  Al13  1  0.638769  0.639109  0.307706  1
  Al  Al14  1  0.609317  0.942999  0.333807  1
  Al  Al15  1  0.669388  0.336409  0.285384  1
  Al  Al16  1  0.942651  0.609666  0.333807  1
  Al  Al17  1  0.002721  0.003076  0.285384  1
  Al  Al18  1  0.336054  0.669742  0.285384  1
  Al  Al19  1  0.169388  0.336409  0.285384  1
  Al  Al20  1  0.502721  0.003076  0.285384  1
  Al  Al21  1  0.472103  0.305775  0.307706  1
  Al  Al22  1  0.836054  0.669742  0.285384  1
  Al  Al23  1  0.805436  0.972442  0.307706  1
  Al  Al24  1  0.775984  0.276333  0.333807  1
  Al  Al25  1  0.138769  0.639109  0.307706  1
  Al  Al26  1  0.109317  0.942999  0.333807  1
  Al  Al27  1  0.442651  0.609666  0.333807  1
  Al  Al28  1  0.002721  0.503076  0.285384  1
  Al  Al29  1  0.336054  0.169742  0.285384  1
  Al  Al30  1  0.305436  0.472442  0.307706  1
  Al  Al31  1  0.669388  0.836409  0.285384  1
  Al  Al32  1  0.638769  0.139109  0.307706  1
  Al  Al33  1  0.609317  0.442999  0.333807  1
  Al  Al34  1  0.972103  0.805775  0.307706  1
  Al  Al35  1  0.942651  0.109666  0.333807  1
  Al  Al36  1  0.275984  0.776333  0.333807  1
  Al  Al37  1  0.017791  0.351468  0.410234  1
  Al  Al38  1  0.351124  0.018135  0.410234  1
  Al  Al39  1  0.412302  0.412646  0.358129  1
  Al  Al40  1  0.684458  0.684801  0.410234  1
  Al  Al41  1  0.745635  0.079312  0.358129  1
  Al  Al42  1  0.715233  0.382246  0.384702  1
  Al  Al43  1  0.078968  0.745979  0.358129  1
  Al  Al44  1  0.048566  0.048912  0.384702  1
  Al  Al45  1  0.381899  0.715579  0.384702  1
  Al  Al46  1  0.881899  0.215579  0.384702  1
  Al  Al47  1  0.215233  0.882246  0.384702  1
  Al  Al48  1  0.184458  0.184801  0.410234  1
  Al  Al49  1  0.548566  0.548912  0.384702  1
  Al  Al50  1  0.517791  0.851468  0.410234  1
  Al  Al51  1  0.578968  0.245979  0.358129  1
  Al  Al52  1  0.851124  0.518135  0.410234  1
  Al  Al53  1  0.912302  0.912646  0.358129  1
  Al  Al54  1  0.245635  0.579312  0.358129  1
  Al  Al55  1  0.078968  0.245979  0.358129  1
  Al  Al56  1  0.412302  0.912646  0.358129  1
  Al  Al57  1  0.381899  0.215579  0.384702  1
  Al  Al58  1  0.745635  0.579312  0.358129  1
  Al  Al59  1  0.715233  0.882246  0.384702  1
  Al  Al60  1  0.684458  0.184801  0.410234  1
  Al  Al61  1  0.048566  0.548912  0.384702  1
  Al  Al62  1  0.017791  0.851468  0.410234  1
  Al  Al63  1  0.351124  0.518135  0.410234  1
  Al  Al64  1  0.912302  0.412646  0.358129  1
  Al  Al65  1  0.245635  0.079312  0.358129  1
  Al  Al66  1  0.215233  0.382246  0.384702  1
  Al  Al67  1  0.578968  0.745979  0.358129  1
  Al  Al68  1  0.548566  0.048912  0.384702  1
  Al  Al69  1  0.517791  0.351468  0.410234  1
  Al  Al70  1  0.881899  0.715579  0.384702  1
  Al  Al71  1  0.851124  0.018135  0.410234  1
  Al  Al72  1  0.184458  0.684801  0.410234  1
  Al  Al73  1  0.926680  0.260355  0.487882  1
  Al  Al74  1  0.260013  0.927021  0.487882  1
  Al  Al75  1  0.320772  0.321115  0.436279  1
  Al  Al76  1  0.593346  0.593688  0.487882  1
  Al  Al77  1  0.654105  0.987782  0.436279  1
  Al  Al78  1  0.623673  0.290682  0.461985  1
  Al  Al79  1  0.987438  0.654449  0.436279  1
  Al  Al80  1  0.957007  0.957349  0.461985  1
  Al  Al81  1  0.290340  0.624015  0.461985  1
  Al  Al82  1  0.790340  0.124015  0.461985  1
  Al  Al83  1  0.123673  0.790682  0.461985  1
  Al  Al84  1  0.093346  0.093688  0.487882  1
  Al  Al85  1  0.457007  0.457349  0.461985  1
  Al  Al86  1  0.426680  0.760355  0.487882  1
  Al  Al87  1  0.487438  0.154449  0.436279  1
  Al  Al88  1  0.760013  0.427021  0.487882  1
  Al  Al89  1  0.820772  0.821115  0.436279  1
  Al  Al90  1  0.154105  0.487782  0.436279  1
  Al  Al91  1  0.987438  0.154449  0.436279  1
  Al  Al92  1  0.320772  0.821115  0.436279  1
  Al  Al93  1  0.290340  0.124015  0.461985  1
  Al  Al94  1  0.654105  0.487782  0.436279  1
  Al  Al95  1  0.623673  0.790682  0.461985  1
  Al  Al96  1  0.593346  0.093688  0.487882  1
  Al  Al97  1  0.957007  0.457349  0.461985  1
  Al  Al98  1  0.926680  0.760355  0.487882  1
  Al  Al99  1  0.260013  0.427021  0.487882  1
  Al  Al100  1  0.820772  0.321115  0.436279  1
  Al  Al101  1  0.154105  0.987782  0.436279  1
  Al  Al102  1  0.123673  0.290682  0.461985  1
  Al  Al103  1  0.487438  0.654449  0.436279  1
  Al  Al104  1  0.457007  0.957349  0.461985  1
  Al  Al105  1  0.426680  0.260355  0.487882  1
  Al  Al106  1  0.790340  0.624015  0.461985  1
  Al  Al107  1  0.760013  0.927021  0.487882  1
  Al  Al108  1  0.093346  0.593688  0.487882  1
  Al  Al109  1  0.835531  0.169202  0.565238  1
  Al  Al110  1  0.168864  0.835869  0.565238  1
  Al  Al111  1  0.229622  0.229963  0.513636  1
  Al  Al112  1  0.502197  0.502535  0.565238  1
  Al  Al113  1  0.562956  0.896629  0.513636  1
  Al  Al114  1  0.532629  0.199635  0.539532  1
  Al  Al115  1  0.896289  0.563296  0.513636  1
  Al  Al116  1  0.865962  0.866302  0.539532  1
  Al  Al117  1  0.199295  0.532969  0.539532  1
  Al  Al118  1  0.699295  0.032969  0.539532  1
  Al  Al119  1  0.032629  0.699635  0.539532  1
  Al  Al120  1  1.002197  1.002535  0.565238  1
  Al  Al121  1  0.365962  0.366302  0.539532  1
  Al  Al122  1  0.335531  0.669202  0.565238  1
  Al  Al123  1  0.396289  0.063296  0.513636  1
  Al  Al124  1  0.668864  0.335869  0.565238  1
  Al  Al125  1  0.729622  0.729963  0.513636  1
  Al  Al126  1  0.062956  0.396629  0.513636  1
  Al  Al127  1  0.896289  0.063296  0.513636  1
  Al  Al128  1  0.229622  0.729963  0.513636  1
  Al  Al129  1  0.199295  0.032969  0.539532  1
  Al  Al130  1  0.562956  0.396629  0.513636  1
  Al  Al131  1  0.532629  0.699635  0.539532  1
  Al  Al132  1  0.502197  1.002535  0.565238  1
  Al  Al133  1  0.865962  0.366302  0.539532  1
  Al  Al134  1  0.835531  0.669202  0.565238  1
  Al  Al135  1  0.168864  0.335869  0.565238  1
  Al  Al136  1  0.729622  0.229963  0.513636  1
  Al  Al137  1  0.062956  0.896629  0.513636  1
  Al  Al138  1  0.032629  0.199635  0.539532  1
  Al  Al139  1  0.396289  0.563296  0.513636  1
  Al  Al140  1  0.365962  0.866302  0.539532  1
  Al  Al141  1  0.335531  0.169202  0.565238  1
  Al  Al142  1  0.699295  0.532969  0.539532  1
  Al  Al143  1  0.668864  0.835869  0.565238  1
  Al  Al144  1  1.002197  0.502535  0.565238  1
  Al  Al145  1  0.744001  0.077672  0.643388  1
  Al  Al146  1  0.077334  0.744338  0.643388  1
  Al  Al147  1  0.138511  0.138849  0.591283  1
  Al  Al148  1  0.410667  0.411005  0.643388  1
  Al  Al149  1  0.471845  0.805516  0.591283  1
  Al  Al150  1  0.441069  0.108072  0.616815  1
  Al  Al151  1  0.805178  0.472183  0.591283  1
  Al  Al152  1  0.774403  0.774738  0.616815  1
  Al  Al153  1  0.107736  0.441405  0.616815  1
  Al  Al154  1  0.607736  0.941405  0.616815  1
  Al  Al155  1  0.941069  0.608072  0.616815  1
  Al  Al156  1  0.910667  0.911005  0.643388  1
  Al  Al157  1  0.274403  0.274738  0.616815  1
  Al  Al158  1  0.244001  0.577672  0.643388  1
  Al  Al159  1  0.305178  0.972183  0.591283  1
  Al  Al160  1  0.577334  0.244338  0.643388  1
  Al  Al161  1  0.638511  0.638849  0.591283  1
  Al  Al162  1  0.971845  0.305516  0.591283  1
  Al  Al163  1  0.805178  0.972183  0.591283  1
  Al  Al164  1  0.138511  0.638849  0.591283  1
  Al  Al165  1  0.107736  0.941405  0.616815  1
  Al  Al166  1  0.471845  0.305516  0.591283  1
  Al  Al167  1  0.441069  0.608072  0.616815  1
  Al  Al168  1  0.410667  0.911005  0.643388  1
  Al  Al169  1  0.774403  0.274738  0.616815  1
  Al  Al170  1  0.744001  0.577672  0.643388  1
  Al  Al171  1  0.077334  0.244338  0.643388  1
  Al  Al172  1  0.638511  0.138849  0.591283  1
  Al  Al173  1  0.971845  0.805516  0.591283  1
  Al  Al174  1  0.941069  0.108072  0.616815  1
  Al  Al175  1  0.305178  0.472183  0.591283  1
  Al  Al176  1  0.274403  0.774738  0.616815  1
  Al  Al177  1  0.244001  0.077672  0.643388  1
  Al  Al178  1  0.607736  0.441405  0.616815  1
  Al  Al179  1  0.577334  0.744338  0.643388  1
  Al  Al180  1  0.910667  0.411005  0.643388  1
  Al  Al181  1  0.653581  0.987242  0.716133  1
  Al  Al182  1  0.986915  0.653908  0.716133  1
  Al  Al183  1  0.046985  0.047318  0.667710  1
  Al  Al184  1  0.320248  0.320575  0.716133  1
  Al  Al185  1  0.380318  0.713985  0.667710  1
  Al  Al186  1  0.350866  0.017875  0.693811  1
  Al  Al187  1  0.713651  0.380651  0.667710  1
  Al  Al188  1  0.684200  0.684542  0.693811  1
  Al  Al189  1  0.017533  0.351209  0.693811  1
  Al  Al190  1  0.517533  0.851209  0.693811  1
  Al  Al191  1  0.850866  0.517875  0.693811  1
  Al  Al192  1  0.820248  0.820575  0.716133  1
  Al  Al193  1  0.184200  0.184542  0.693811  1
  Al  Al194  1  0.153581  0.487242  0.716133  1
  Al  Al195  1  0.213651  0.880651  0.667710  1
  Al  Al196  1  0.486915  0.153908  0.716133  1
  Al  Al197  1  0.546985  0.547318  0.667710  1
  Al  Al198  1  0.880318  0.213985  0.667710  1
  Al  Al199  1  0.713651  0.880651  0.667710  1
  Al  Al200  1  0.046985  0.547318  0.667710  1
  Al  Al201  1  0.017533  0.851209  0.693811  1
  Al  Al202  1  0.380318  0.213985  0.667710  1
  Al  Al203  1  0.350866  0.517875  0.693811  1
  Al  Al204  1  0.320248  0.820575  0.716133  1
  Al  Al205  1  0.684200  0.184542  0.693811  1
  Al  Al206  1  0.653581  0.487242  0.716133  1
  Al  Al207  1  0.986915  0.153908  0.716133  1
  Al  Al208  1  0.546985  0.047318  0.667710  1
  Al  Al209  1  0.880318  0.713985  0.667710  1
  Al  Al210  1  0.850866  0.017875  0.693811  1
  Al  Al211  1  0.213651  0.380651  0.667710  1
  Al  Al212  1  0.184200  0.684542  0.693811  1
  Al  Al213  1  0.153581  0.987242  0.716133  1
  Al  Al214  1  0.517533  0.351209  0.693811  1
  Al  Al215  1  0.486915  0.653908  0.716133  1
  Al  Al216  1  0.820248  0.320575  0.716133  1
