# generated using pymatgen
data_Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.98673923
_cell_length_b   8.99260545
_cell_length_c   49.84089000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   78.46304097
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al
_chemical_formula_sum   Al112
_cell_volume   3946.47253612
_cell_formula_units_Z   112
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  0.660156  0.660435  0.334967  1
  Al  Al2  1  0.327863  0.327936  0.269355  1
  Al  Al3  1  0.243463  0.743158  0.301663  1
  Al  Al4  1  0.742849  0.243772  0.301670  1
  Al  Al5  1  0.988286  0.988626  0.300075  1
  Al  Al6  1  0.491855  0.492170  0.301693  1
  Al  Al7  1  0.581419  0.074811  0.269737  1
  Al  Al8  1  0.074721  0.581451  0.269730  1
  Al  Al9  1  0.702059  0.949020  0.318397  1
  Al  Al10  1  0.200726  0.450371  0.318980  1
  Al  Al11  1  0.282693  0.033363  0.284770  1
  Al  Al12  1  0.782482  0.534674  0.284811  1
  Al  Al13  1  0.948744  0.702341  0.318380  1
  Al  Al14  1  0.450112  0.200982  0.318982  1
  Al  Al15  1  0.534501  0.782727  0.284812  1
  Al  Al16  1  0.033134  0.282913  0.284770  1
  Al  Al17  1  0.493170  0.493502  0.401496  1
  Al  Al18  1  0.158313  0.158596  0.334591  1
  Al  Al19  1  0.076178  0.577987  0.368073  1
  Al  Al20  1  0.577672  0.076490  0.368077  1
  Al  Al21  1  0.826932  0.827227  0.368445  1
  Al  Al22  1  0.326481  0.326792  0.368307  1
  Al  Al23  1  0.409462  0.910808  0.335036  1
  Al  Al24  1  0.910531  0.409757  0.335036  1
  Al  Al25  1  0.534868  0.785232  0.384867  1
  Al  Al26  1  0.034949  0.285120  0.384841  1
  Al  Al27  1  0.117908  0.869266  0.351214  1
  Al  Al28  1  0.618715  0.368736  0.351393  1
  Al  Al29  1  0.784916  0.535186  0.384867  1
  Al  Al30  1  0.284797  0.035265  0.384841  1
  Al  Al31  1  0.368424  0.619026  0.351391  1
  Al  Al32  1  0.868964  0.118223  0.351219  1
  Al  Al33  1  0.326208  0.326572  0.468350  1
  Al  Al34  1  0.993275  0.993602  0.401517  1
  Al  Al35  1  0.909654  0.409962  0.434952  1
  Al  Al36  1  0.409616  0.909999  0.434952  1
  Al  Al37  1  0.659647  0.659992  0.434963  1
  Al  Al38  1  0.159704  0.160049  0.434961  1
  Al  Al39  1  0.243029  0.743617  0.401453  1
  Al  Al40  1  0.743288  0.243361  0.401455  1
  Al  Al41  1  0.367902  0.618297  0.451634  1
  Al  Al42  1  0.867945  0.118312  0.451654  1
  Al  Al43  1  0.951536  0.701695  0.418300  1
  Al  Al44  1  0.451572  0.201661  0.418226  1
  Al  Al45  1  0.617942  0.368257  0.451635  1
  Al  Al46  1  0.117958  0.868298  0.451654  1
  Al  Al47  1  0.201323  0.451912  0.418225  1
  Al  Al48  1  0.701361  0.951870  0.418300  1
  Al  Al49  1  0.159214  0.159612  0.535197  1
  Al  Al50  1  0.826197  0.826558  0.468382  1
  Al  Al51  1  0.742715  0.243094  0.501785  1
  Al  Al52  1  0.242714  0.743095  0.501784  1
  Al  Al53  1  0.492710  0.493090  0.501776  1
  Al  Al54  1  0.992711  0.993091  0.501786  1
  Al  Al55  1  0.076222  0.576529  0.468375  1
  Al  Al56  1  0.576166  0.076584  0.468375  1
  Al  Al57  1  0.200983  0.451346  0.518481  1
  Al  Al58  1  0.700955  0.951357  0.518489  1
  Al  Al59  1  0.784439  0.534797  0.485080  1
  Al  Al60  1  0.284450  0.034819  0.485078  1
  Al  Al61  1  0.450958  0.201372  0.518481  1
  Al  Al62  1  0.950969  0.701343  0.518489  1
  Al  Al63  1  0.034448  0.284821  0.485078  1
  Al  Al64  1  0.534426  0.784810  0.485080  1
  Al  Al65  1  0.992357  0.992785  0.602136  1
  Al  Al66  1  0.659215  0.659611  0.535211  1
  Al  Al67  1  0.575683  0.076173  0.568584  1
  Al  Al68  1  0.075757  0.576097  0.568584  1
  Al  Al69  1  0.325746  0.326162  0.568589  1
  Al  Al70  1  0.825764  0.826178  0.568594  1
  Al  Al71  1  0.909228  0.409585  0.535213  1
  Al  Al72  1  0.409188  0.909625  0.535213  1
  Al  Al73  1  0.034167  0.284132  0.585353  1
  Al  Al74  1  0.533913  0.784404  0.585351  1
  Al  Al75  1  0.617510  0.367898  0.551913  1
  Al  Al76  1  0.117461  0.867931  0.551923  1
  Al  Al77  1  0.283708  0.034592  0.585352  1
  Al  Al78  1  0.783985  0.534333  0.585352  1
  Al  Al79  1  0.867526  0.117866  0.551924  1
  Al  Al80  1  0.367492  0.617915  0.551913  1
  Al  Al81  1  0.827181  0.827662  0.668184  1
  Al  Al82  1  0.492272  0.492703  0.602049  1
  Al  Al83  1  0.407625  0.910267  0.635335  1
  Al  Al84  1  0.909816  0.408079  0.635341  1
  Al  Al85  1  0.158321  0.158770  0.635782  1
  Al  Al86  1  0.658662  0.659091  0.635456  1
  Al  Al87  1  0.742359  0.242596  0.602045  1
  Al  Al88  1  0.242163  0.742788  0.602044  1
  Al  Al89  1  0.867207  0.117808  0.652318  1
  Al  Al90  1  0.366444  0.617625  0.652064  1
  Al  Al91  1  0.450277  0.200849  0.618635  1
  Al  Al92  1  0.950605  0.700810  0.618614  1
  Al  Al93  1  0.117359  0.867658  0.652319  1
  Al  Al94  1  0.617175  0.366907  0.652065  1
  Al  Al95  1  0.700368  0.951045  0.618613  1
  Al  Al96  1  0.200400  0.450721  0.618636  1
  Al  Al97  1  0.656842  0.657645  0.732957  1
  Al  Al98  1  0.325059  0.325550  0.668179  1
  Al  Al99  1  0.247441  0.745915  0.702909  1
  Al  Al100  1  0.745428  0.247870  0.702903  1
  Al  Al101  1  0.994596  0.995078  0.702739  1
  Al  Al102  1  0.491865  0.492335  0.701399  1
  Al  Al103  1  0.577062  0.077196  0.668427  1
  Al  Al104  1  0.076702  0.577556  0.668431  1
  Al  Al105  1  0.699910  0.951960  0.717820  1
  Al  Al106  1  0.199611  0.451331  0.718188  1
  Al  Al107  1  0.285387  0.034795  0.685909  1
  Al  Al108  1  0.786390  0.534169  0.684442  1
  Al  Al109  1  0.951390  0.700544  0.717823  1
  Al  Al110  1  0.450715  0.200214  0.718187  1
  Al  Al111  1  0.533704  0.786860  0.684422  1
  Al  Al112  1  0.034346  0.285832  0.685910  1
