# generated using pymatgen
data_Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.36612978
_cell_length_b   14.48804426
_cell_length_c   46.89012395
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   113.09346927
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al
_chemical_formula_sum   Al192
_cell_volume   7102.7809598
_cell_formula_units_Z   192
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  0.571837  0.367173  0.287326  1
  Al  Al2  1  0.071698  0.365597  0.286979  1
  Al  Al3  1  0.139134  0.999601  0.304574  1
  Al  Al4  1  0.704840  0.635442  0.323466  1
  Al  Al5  1  0.639084  0.999791  0.304528  1
  Al  Al6  1  0.207710  0.636725  0.324452  1
  Al  Al7  1  0.605452  0.183358  0.295633  1
  Al  Al8  1  0.106576  0.183358  0.295633  1
  Al  Al9  1  0.172092  0.815515  0.312787  1
  Al  Al10  1  0.740907  0.453655  0.333700  1
  Al  Al11  1  0.672514  0.816359  0.313130  1
  Al  Al12  1  0.039594  0.550522  0.278882  1
  Al  Al13  1  0.355415  0.182159  0.295798  1
  Al  Al14  1  0.855560  0.182450  0.295639  1
  Al  Al15  1  0.922781  0.816125  0.313116  1
  Al  Al16  1  0.291181  0.549330  0.278956  1
  Al  Al17  1  0.422013  0.816125  0.313116  1
  Al  Al18  1  0.786815  0.549330  0.278956  1
  Al  Al19  1  0.324003  0.367171  0.287326  1
  Al  Al20  1  0.822568  0.365598  0.286979  1
  Al  Al21  1  0.889378  0.999791  0.304528  1
  Al  Al22  1  0.459269  0.635442  0.323465  1
  Al  Al23  1  0.389137  0.999601  0.304574  1
  Al  Al24  1  0.957682  0.636725  0.324452  1
  Al  Al25  1  0.775403  0.272307  0.342170  1
  Al  Al26  1  0.275166  0.271694  0.342384  1
  Al  Al27  1  0.343661  0.908711  0.359863  1
  Al  Al28  1  0.912465  0.546476  0.379163  1
  Al  Al29  1  0.843811  0.908945  0.359868  1
  Al  Al30  1  0.412694  0.546688  0.379212  1
  Al  Al31  1  0.809640  0.090613  0.351020  1
  Al  Al32  1  0.309444  0.090221  0.351112  1
  Al  Al33  1  0.379478  0.728352  0.369556  1
  Al  Al34  1  0.946138  0.363611  0.388519  1
  Al  Al35  1  0.877541  0.728352  0.369556  1
  Al  Al36  1  0.241414  0.453655  0.333700  1
  Al  Al37  1  0.559641  0.090478  0.351022  1
  Al  Al38  1  0.059505  0.090478  0.351023  1
  Al  Al39  1  0.128832  0.728998  0.369857  1
  Al  Al40  1  0.491530  0.454393  0.333289  1
  Al  Al41  1  0.628767  0.728867  0.369828  1
  Al  Al42  1  0.991131  0.453596  0.333618  1
  Al  Al43  1  0.525195  0.271694  0.342384  1
  Al  Al44  1  0.025571  0.272307  0.342170  1
  Al  Al45  1  0.093716  0.908711  0.359863  1
  Al  Al46  1  0.662660  0.546688  0.379212  1
  Al  Al47  1  0.593801  0.908945  0.359868  1
  Al  Al48  1  0.162677  0.546476  0.379163  1
  Al  Al49  1  0.980106  0.181508  0.397462  1
  Al  Al50  1  0.480029  0.181485  0.397521  1
  Al  Al51  1  0.548682  0.818767  0.415949  1
  Al  Al52  1  0.116820  0.454930  0.434693  1
  Al  Al53  1  0.048474  0.818632  0.415912  1
  Al  Al54  1  0.616739  0.454913  0.434684  1
  Al  Al55  1  0.014244  0.999804  0.406478  1
  Al  Al56  1  0.514225  0.999804  0.406478  1
  Al  Al57  1  0.582829  0.636994  0.425406  1
  Al  Al58  1  0.150712  0.272778  0.443915  1
  Al  Al59  1  0.082795  0.636925  0.425360  1
  Al  Al60  1  0.446390  0.364115  0.388300  1
  Al  Al61  1  0.764254  0.999843  0.406481  1
  Al  Al62  1  0.264182  0.999698  0.406507  1
  Al  Al63  1  0.332832  0.637002  0.425352  1
  Al  Al64  1  0.696062  0.363679  0.388521  1
  Al  Al65  1  0.832835  0.637002  0.425353  1
  Al  Al66  1  0.196283  0.363679  0.388521  1
  Al  Al67  1  0.730067  0.181508  0.397462  1
  Al  Al68  1  0.230122  0.181485  0.397521  1
  Al  Al69  1  0.298824  0.818632  0.415912  1
  Al  Al70  1  0.866775  0.454930  0.434693  1
  Al  Al71  1  0.798751  0.818767  0.415949  1
  Al  Al72  1  0.366839  0.454914  0.434684  1
  Al  Al73  1  0.184782  0.090890  0.453041  1
  Al  Al74  1  0.684772  0.090880  0.453038  1
  Al  Al75  1  0.753119  0.727574  0.471696  1
  Al  Al76  1  0.321274  0.363879  0.490291  1
  Al  Al77  1  0.253112  0.727554  0.471676  1
  Al  Al78  1  0.821270  0.363883  0.490302  1
  Al  Al79  1  0.218958  0.909251  0.462312  1
  Al  Al80  1  0.718987  0.909309  0.462340  1
  Al  Al81  1  0.787176  0.545723  0.481023  1
  Al  Al82  1  0.355340  0.182017  0.499466  1
  Al  Al83  1  0.287211  0.545723  0.481023  1
  Al  Al84  1  0.650730  0.272778  0.443915  1
  Al  Al85  1  0.968985  0.909301  0.462328  1
  Al  Al86  1  0.468980  0.909301  0.462328  1
  Al  Al87  1  0.537193  0.545721  0.481036  1
  Al  Al88  1  0.900711  0.272757  0.443916  1
  Al  Al89  1  0.037188  0.545712  0.481024  1
  Al  Al90  1  0.400773  0.272881  0.443860  1
  Al  Al91  1  0.934772  0.090880  0.453038  1
  Al  Al92  1  0.434772  0.090890  0.453041  1
  Al  Al93  1  0.503119  0.727574  0.471696  1
  Al  Al94  1  0.071277  0.363883  0.490302  1
  Al  Al95  1  1.003106  0.727554  0.471676  1
  Al  Al96  1  0.571269  0.363879  0.490291  1
  Al  Al97  1  0.389397  1.000113  0.508705  1
  Al  Al98  1  0.889369  1.000090  0.508733  1
  Al  Al99  1  0.957515  0.636415  0.527384  1
  Al  Al100  1  0.525902  0.273133  0.545908  1
  Al  Al101  1  0.457573  0.636431  0.527407  1
  Al  Al102  1  0.025890  0.273113  0.545909  1
  Al  Al103  1  0.423472  0.818227  0.518028  1
  Al  Al104  1  0.923418  0.818227  0.518028  1
  Al  Al105  1  0.991766  0.454869  0.536744  1
  Al  Al106  1  0.559855  0.091011  0.555086  1
  Al  Al107  1  0.491754  0.454846  0.536741  1
  Al  Al108  1  0.855309  0.181955  0.499497  1
  Al  Al109  1  0.173443  0.818223  0.518013  1
  Al  Al110  1  0.673439  0.818216  0.518057  1
  Al  Al111  1  0.741718  0.454882  0.536748  1
  Al  Al112  1  0.105308  0.181970  0.499493  1
  Al  Al113  1  0.241826  0.454882  0.536748  1
  Al  Al114  1  0.605325  0.181970  0.499493  1
  Al  Al115  1  0.139379  1.000113  0.508705  1
  Al  Al116  1  0.639384  1.000090  0.508733  1
  Al  Al117  1  0.707521  0.636431  0.527407  1
  Al  Al118  1  0.275894  0.273133  0.545908  1
  Al  Al119  1  0.207563  0.636415  0.527384  1
  Al  Al120  1  0.775885  0.273113  0.545909  1
  Al  Al121  1  0.593788  0.908851  0.564382  1
  Al  Al122  1  0.093736  0.908937  0.564301  1
  Al  Al123  1  0.162354  0.545731  0.583251  1
  Al  Al124  1  0.730529  0.182369  0.601334  1
  Al  Al125  1  0.661868  0.545783  0.583307  1
  Al  Al126  1  0.230497  0.182425  0.601359  1
  Al  Al127  1  0.627786  0.726911  0.573801  1
  Al  Al128  1  0.127769  0.726876  0.573689  1
  Al  Al129  1  0.196572  0.364357  0.592415  1
  Al  Al130  1  0.764083  0.999505  0.610575  1
  Al  Al131  1  0.696447  0.364357  0.592415  1
  Al  Al132  1  0.059818  0.091011  0.555086  1
  Al  Al133  1  0.377866  0.726932  0.573714  1
  Al  Al134  1  0.877727  0.726932  0.573714  1
  Al  Al135  1  0.946497  0.364333  0.592414  1
  Al  Al136  1  0.309900  0.091137  0.555023  1
  Al  Al137  1  0.446491  0.364321  0.592441  1
  Al  Al138  1  0.809817  0.090973  0.555091  1
  Al  Al139  1  0.343863  0.908937  0.564301  1
  Al  Al140  1  0.843724  0.908851  0.564382  1
  Al  Al141  1  0.912038  0.545731  0.583251  1
  Al  Al142  1  0.480589  0.182425  0.601359  1
  Al  Al143  1  0.412577  0.545783  0.583307  1
  Al  Al144  1  0.980500  0.182369  0.601334  1
  Al  Al145  1  0.797719  0.816754  0.619961  1
  Al  Al146  1  0.297765  0.817014  0.619754  1
  Al  Al147  1  0.367074  0.455295  0.638974  1
  Al  Al148  1  0.935484  0.092254  0.656275  1
  Al  Al149  1  0.866812  0.455184  0.638927  1
  Al  Al150  1  0.435320  0.092185  0.656396  1
  Al  Al151  1  0.830957  0.636121  0.629672  1
  Al  Al152  1  0.333824  0.636121  0.629672  1
  Al  Al153  1  0.401157  0.273654  0.647815  1
  Al  Al154  1  0.969623  0.909252  0.665425  1
  Al  Al155  1  0.901080  0.273500  0.647778  1
  Al  Al156  1  0.264359  1.000057  0.610361  1
  Al  Al157  1  0.583020  0.637379  0.630272  1
  Al  Al158  1  0.082361  0.636063  0.629644  1
  Al  Al159  1  0.151220  0.273636  0.647756  1
  Al  Al160  1  0.514234  0.999577  0.610590  1
  Al  Al161  1  0.651076  0.273636  0.647756  1
  Al  Al162  1  0.014004  0.999577  0.610590  1
  Al  Al163  1  0.547696  0.816754  0.619961  1
  Al  Al164  1  0.047910  0.817014  0.619754  1
  Al  Al165  1  0.117032  0.455184  0.638927  1
  Al  Al166  1  0.685430  0.092254  0.656275  1
  Al  Al167  1  0.616881  0.455295  0.638974  1
  Al  Al168  1  0.185525  0.092185  0.656396  1
  Al  Al169  1  1.001600  0.727889  0.675288  1
  Al  Al170  1  0.504464  0.731321  0.677479  1
  Al  Al171  1  0.571276  0.363704  0.694343  1
  Al  Al172  1  0.137673  0.998119  0.711340  1
  Al  Al173  1  0.070745  0.363300  0.694302  1
  Al  Al174  1  0.635221  0.993243  0.711037  1
  Al  Al175  1  0.037640  0.546623  0.685535  1
  Al  Al176  1  0.537829  0.547001  0.685401  1
  Al  Al177  1  0.605530  0.180577  0.703007  1
  Al  Al178  1  0.172462  0.816262  0.719595  1
  Al  Al179  1  0.103704  0.180578  0.703007  1
  Al  Al180  1  0.468289  0.909252  0.665425  1
  Al  Al181  1  0.788185  0.546995  0.685603  1
  Al  Al182  1  0.287467  0.546995  0.685603  1
  Al  Al183  1  0.354523  0.180389  0.703117  1
  Al  Al184  1  0.718972  0.909284  0.665232  1
  Al  Al185  1  0.853699  0.178741  0.703059  1
  Al  Al186  1  0.219376  0.910091  0.665032  1
  Al  Al187  1  0.755516  0.731322  0.677479  1
  Al  Al188  1  0.254947  0.727888  0.675288  1
  Al  Al189  1  0.321084  0.363704  0.694343  1
  Al  Al190  1  0.886683  0.993243  0.711037  1
  Al  Al191  1  0.821211  0.363300  0.694302  1
  Al  Al192  1  0.389105  0.998117  0.711340  1
