# generated using pymatgen
data_Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.12435488
_cell_length_b   12.12755077
_cell_length_c   49.35885940
_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   7221.28446973
_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  0.880127  0.214234  0.356906  1
  Al  Al2  1  0.304786  0.971428  0.287967  1
  Al  Al3  1  0.275123  0.274393  0.309539  1
  Al  Al4  1  0.636184  0.638515  0.288385  1
  Al  Al5  1  0.606189  0.939800  0.309391  1
  Al  Al6  1  0.575729  0.245568  0.333095  1
  Al  Al7  1  0.938244  0.606101  0.309356  1
  Al  Al8  1  0.910517  0.911294  0.334048  1
  Al  Al9  1  0.244637  0.574806  0.333106  1
  Al  Al10  1  0.108014  0.439436  0.309468  1
  Al  Al11  1  0.439828  0.108780  0.309528  1
  Al  Al12  1  0.409977  0.409594  0.331654  1
  Al  Al13  1  0.773004  0.773875  0.309527  1
  Al  Al14  1  0.744162  0.078051  0.334132  1
  Al  Al15  1  0.713686  0.379691  0.356738  1
  Al  Al16  1  0.076486  0.743509  0.334142  1
  Al  Al17  1  0.138004  0.136630  0.288405  1
  Al  Al18  1  0.470561  0.804282  0.287902  1
  Al  Al19  1  0.909977  0.409594  0.331654  1
  Al  Al20  1  0.244162  0.078051  0.334132  1
  Al  Al21  1  0.213686  0.379691  0.356738  1
  Al  Al22  1  0.576486  0.743509  0.334142  1
  Al  Al23  1  0.638004  0.136630  0.288405  1
  Al  Al24  1  0.608014  0.439436  0.309468  1
  Al  Al25  1  0.970561  0.804282  0.287902  1
  Al  Al26  1  0.939828  0.108780  0.309528  1
  Al  Al27  1  0.273004  0.773875  0.309527  1
  Al  Al28  1  0.075729  0.245568  0.333095  1
  Al  Al29  1  0.410517  0.911294  0.334048  1
  Al  Al30  1  0.380127  0.214234  0.356906  1
  Al  Al31  1  0.744637  0.574806  0.333106  1
  Al  Al32  1  0.804786  0.971428  0.287967  1
  Al  Al33  1  0.775123  0.274393  0.309539  1
  Al  Al34  1  0.136184  0.638515  0.288385  1
  Al  Al35  1  0.106189  0.939800  0.309391  1
  Al  Al36  1  0.438244  0.606101  0.309356  1
  Al  Al37  1  0.787917  0.121981  0.428739  1
  Al  Al38  1  0.212960  0.880218  0.357007  1
  Al  Al39  1  0.182206  0.183863  0.380884  1
  Al  Al40  1  0.546003  0.545726  0.356478  1
  Al  Al41  1  0.516054  0.849670  0.381199  1
  Al  Al42  1  0.485394  0.152771  0.404764  1
  Al  Al43  1  0.849771  0.515244  0.380430  1
  Al  Al44  1  0.818506  0.818772  0.404744  1
  Al  Al45  1  0.152020  0.485230  0.404497  1
  Al  Al46  1  0.015510  0.350110  0.380459  1
  Al  Al47  1  0.349460  0.016832  0.381222  1
  Al  Al48  1  0.318752  0.319027  0.404662  1
  Al  Al49  1  0.683033  0.681896  0.380824  1
  Al  Al50  1  0.651916  0.985987  0.404806  1
  Al  Al51  1  0.621234  0.288536  0.428598  1
  Al  Al52  1  0.985260  0.651740  0.404541  1
  Al  Al53  1  0.046514  0.047511  0.356877  1
  Al  Al54  1  0.379302  0.712926  0.356814  1
  Al  Al55  1  0.818752  0.319027  0.404662  1
  Al  Al56  1  0.151916  0.985987  0.404806  1
  Al  Al57  1  0.121234  0.288536  0.428598  1
  Al  Al58  1  0.485260  0.651740  0.404541  1
  Al  Al59  1  0.546514  0.047511  0.356877  1
  Al  Al60  1  0.515510  0.350110  0.380459  1
  Al  Al61  1  0.879302  0.712926  0.356814  1
  Al  Al62  1  0.849460  0.016832  0.381222  1
  Al  Al63  1  0.183033  0.681896  0.380824  1
  Al  Al64  1  0.985394  0.152771  0.404764  1
  Al  Al65  1  0.318506  0.818772  0.404744  1
  Al  Al66  1  0.287917  0.121981  0.428739  1
  Al  Al67  1  0.652020  0.485230  0.404497  1
  Al  Al68  1  0.712960  0.880218  0.357007  1
  Al  Al69  1  0.682206  0.183863  0.380884  1
  Al  Al70  1  0.046003  0.545726  0.356478  1
  Al  Al71  1  0.016054  0.849670  0.381199  1
  Al  Al72  1  0.349771  0.515244  0.380430  1
  Al  Al73  1  0.696013  0.029782  0.500408  1
  Al  Al74  1  0.121399  0.788047  0.428649  1
  Al  Al75  1  0.090654  0.091180  0.452610  1
  Al  Al76  1  0.454677  0.454811  0.428477  1
  Al  Al77  1  0.423997  0.757454  0.452473  1
  Al  Al78  1  0.393321  0.060457  0.476522  1
  Al  Al79  1  0.757342  0.424243  0.452462  1
  Al  Al80  1  0.726699  0.726847  0.476378  1
  Al  Al81  1  0.060011  0.393650  0.476405  1
  Al  Al82  1  0.924008  0.257776  0.452562  1
  Al  Al83  1  0.257296  0.924353  0.452572  1
  Al  Al84  1  0.226657  0.227116  0.476495  1
  Al  Al85  1  0.590675  0.590739  0.452406  1
  Al  Al86  1  0.560018  0.893651  0.476465  1
  Al  Al87  1  0.529343  0.196457  0.500411  1
  Al  Al88  1  0.893368  0.560181  0.476346  1
  Al  Al89  1  0.954676  0.955113  0.428783  1
  Al  Al90  1  0.288092  0.621208  0.428503  1
  Al  Al91  1  0.726657  0.227116  0.476495  1
  Al  Al92  1  0.060018  0.893651  0.476465  1
  Al  Al93  1  0.029343  0.196457  0.500411  1
  Al  Al94  1  0.393368  0.560181  0.476346  1
  Al  Al95  1  0.454676  0.955113  0.428783  1
  Al  Al96  1  0.424008  0.257776  0.452562  1
  Al  Al97  1  0.788092  0.621208  0.428503  1
  Al  Al98  1  0.757296  0.924353  0.452572  1
  Al  Al99  1  0.090675  0.590739  0.452406  1
  Al  Al100  1  0.893321  0.060457  0.476522  1
  Al  Al101  1  0.226699  0.726847  0.476378  1
  Al  Al102  1  0.196013  0.029782  0.500408  1
  Al  Al103  1  0.560011  0.393650  0.476405  1
  Al  Al104  1  0.621399  0.788047  0.428649  1
  Al  Al105  1  0.590654  0.091180  0.452610  1
  Al  Al106  1  0.954677  0.454811  0.428477  1
  Al  Al107  1  0.923997  0.757454  0.452473  1
  Al  Al108  1  0.257342  0.424243  0.452462  1
  Al  Al109  1  0.603895  0.937996  0.572015  1
  Al  Al110  1  0.029362  0.696216  0.500265  1
  Al  Al111  1  0.998661  0.999163  0.524297  1
  Al  Al112  1  0.362684  0.363004  0.500343  1
  Al  Al113  1  0.332059  0.665546  0.524164  1
  Al  Al114  1  0.301385  0.968519  0.548194  1
  Al  Al115  1  0.665376  0.332372  0.524302  1
  Al  Al116  1  0.634744  0.634807  0.548050  1
  Al  Al117  1  0.967990  0.301798  0.548218  1
  Al  Al118  1  0.832003  0.165849  0.524351  1
  Al  Al119  1  0.165366  0.832341  0.524214  1
  Al  Al120  1  0.134690  0.135294  0.548250  1
  Al  Al121  1  0.498734  0.498886  0.524200  1
  Al  Al122  1  0.468050  0.801633  0.548094  1
  Al  Al123  1  0.437250  0.104819  0.572198  1
  Al  Al124  1  0.801372  0.468190  0.548118  1
  Al  Al125  1  0.862684  0.862995  0.500335  1
  Al  Al126  1  0.196030  0.529554  0.500268  1
  Al  Al127  1  0.634690  0.135294  0.548250  1
  Al  Al128  1  0.968050  0.801633  0.548094  1
  Al  Al129  1  0.937250  0.104819  0.572198  1
  Al  Al130  1  0.301372  0.468190  0.548118  1
  Al  Al131  1  0.362684  0.862995  0.500335  1
  Al  Al132  1  0.332003  0.165849  0.524351  1
  Al  Al133  1  0.696030  0.529554  0.500268  1
  Al  Al134  1  0.665366  0.832341  0.524214  1
  Al  Al135  1  0.998734  0.498886  0.524200  1
  Al  Al136  1  0.801385  0.968519  0.548194  1
  Al  Al137  1  0.134744  0.634807  0.548050  1
  Al  Al138  1  0.103895  0.937996  0.572015  1
  Al  Al139  1  0.467990  0.301798  0.548218  1
  Al  Al140  1  0.529362  0.696216  0.500265  1
  Al  Al141  1  0.498661  0.999163  0.524297  1
  Al  Al142  1  0.862684  0.363004  0.500343  1
  Al  Al143  1  0.832059  0.665546  0.524164  1
  Al  Al144  1  0.165376  0.332372  0.524302  1
  Al  Al145  1  0.512680  0.845769  0.643596  1
  Al  Al146  1  0.937540  0.603946  0.571954  1
  Al  Al147  1  0.906808  0.907134  0.595936  1
  Al  Al148  1  0.270727  0.271258  0.572290  1
  Al  Al149  1  0.240030  0.573173  0.595835  1
  Al  Al150  1  0.208824  0.877010  0.619521  1
  Al  Al151  1  0.573250  0.240836  0.596079  1
  Al  Al152  1  0.543432  0.541998  0.619955  1
  Al  Al153  1  0.876105  0.210400  0.620448  1
  Al  Al154  1  0.740130  0.074204  0.596037  1
  Al  Al155  1  0.073464  0.740018  0.595791  1
  Al  Al156  1  0.042045  0.044191  0.619944  1
  Al  Al157  1  0.406504  0.406910  0.596030  1
  Al  Al158  1  0.376656  0.708817  0.619511  1
  Al  Al159  1  0.346064  0.013131  0.643754  1
  Al  Al160  1  0.709649  0.376464  0.620467  1
  Al  Al161  1  0.770745  0.770913  0.571934  1
  Al  Al162  1  0.104170  0.437481  0.572140  1
  Al  Al163  1  0.542045  0.044191  0.619944  1
  Al  Al164  1  0.876656  0.708817  0.619511  1
  Al  Al165  1  0.846064  0.013131  0.643754  1
  Al  Al166  1  0.209649  0.376464  0.620467  1
  Al  Al167  1  0.270745  0.770913  0.571934  1
  Al  Al168  1  0.240130  0.074204  0.596037  1
  Al  Al169  1  0.604170  0.437481  0.572140  1
  Al  Al170  1  0.573464  0.740018  0.595791  1
  Al  Al171  1  0.906504  0.406910  0.596030  1
  Al  Al172  1  0.708824  0.877010  0.619521  1
  Al  Al173  1  0.043432  0.541998  0.619955  1
  Al  Al174  1  0.012680  0.845769  0.643596  1
  Al  Al175  1  0.376105  0.210400  0.620448  1
  Al  Al176  1  0.437540  0.603946  0.571954  1
  Al  Al177  1  0.406808  0.907134  0.595936  1
  Al  Al178  1  0.770727  0.271258  0.572290  1
  Al  Al179  1  0.740030  0.573173  0.595835  1
  Al  Al180  1  0.073250  0.240836  0.596079  1
  Al  Al181  1  0.421340  0.756272  0.711591  1
  Al  Al182  1  0.845065  0.512302  0.643599  1
  Al  Al183  1  0.815178  0.815308  0.665967  1
  Al  Al184  1  0.178816  0.179817  0.643600  1
  Al  Al185  1  0.149680  0.482317  0.668515  1
  Al  Al186  1  0.119249  0.783688  0.690476  1
  Al  Al187  1  0.481679  0.150163  0.668456  1
  Al  Al188  1  0.451447  0.453271  0.690322  1
  Al  Al189  1  0.783908  0.118611  0.690412  1
  Al  Al190  1  0.646925  0.983979  0.667063  1
  Al  Al191  1  0.983586  0.647030  0.667057  1
  Al  Al192  1  0.954202  0.953578  0.690831  1
  Al  Al193  1  0.315905  0.316361  0.668517  1
  Al  Al194  1  0.284072  0.619126  0.690517  1
  Al  Al195  1  0.255265  0.920405  0.711597  1
  Al  Al196  1  0.617621  0.284646  0.690150  1
  Al  Al197  1  0.678968  0.678464  0.643343  1
  Al  Al198  1  0.011963  0.346180  0.643714  1
  Al  Al199  1  0.454202  0.953578  0.690831  1
  Al  Al200  1  0.784072  0.619126  0.690517  1
  Al  Al201  1  0.755265  0.920405  0.711597  1
  Al  Al202  1  0.117621  0.284646  0.690150  1
  Al  Al203  1  0.178968  0.678464  0.643343  1
  Al  Al204  1  0.146925  0.983979  0.667063  1
  Al  Al205  1  0.511963  0.346180  0.643714  1
  Al  Al206  1  0.483586  0.647030  0.667057  1
  Al  Al207  1  0.815905  0.316361  0.668517  1
  Al  Al208  1  0.619249  0.783688  0.690476  1
  Al  Al209  1  0.951447  0.453271  0.690322  1
  Al  Al210  1  0.921340  0.756272  0.711591  1
  Al  Al211  1  0.283908  0.118611  0.690412  1
  Al  Al212  1  0.345065  0.512302  0.643599  1
  Al  Al213  1  0.315178  0.815308  0.665967  1
  Al  Al214  1  0.678816  0.179817  0.643600  1
  Al  Al215  1  0.649680  0.482317  0.668515  1
  Al  Al216  1  0.981679  0.150163  0.668456  1
