# generated using pymatgen
data_Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.94542672
_cell_length_b   8.95116875
_cell_length_c   49.63815792
_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   3894.32398887
_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  0.947874  0.702115  0.318513  1
  Al  Al2  1  0.449720  0.200956  0.319251  1
  Al  Al3  1  0.533839  0.780979  0.284942  1
  Al  Al4  1  0.029974  0.280047  0.284175  1
  Al  Al5  1  0.701936  0.948078  0.318542  1
  Al  Al6  1  0.200808  0.449865  0.319250  1
  Al  Al7  1  0.279947  0.030076  0.284178  1
  Al  Al8  1  0.780871  0.533861  0.284935  1
  Al  Al9  1  0.983828  0.984097  0.298354  1
  Al  Al10  1  0.490346  0.490622  0.301053  1
  Al  Al11  1  0.576712  0.073780  0.270965  1
  Al  Al12  1  0.073906  0.576603  0.270962  1
  Al  Al13  1  0.660308  0.660496  0.334778  1
  Al  Al14  1  0.324716  0.324596  0.270364  1
  Al  Al15  1  0.242515  0.741409  0.301277  1
  Al  Al16  1  0.741144  0.242740  0.301275  1
  Al  Al17  1  0.785504  0.535444  0.384675  1
  Al  Al18  1  0.285059  0.035720  0.384617  1
  Al  Al19  1  0.369093  0.619533  0.351130  1
  Al  Al20  1  0.869647  0.118143  0.350875  1
  Al  Al21  1  0.535181  0.785769  0.384675  1
  Al  Al22  1  0.035453  0.285338  0.384618  1
  Al  Al23  1  0.117863  0.869898  0.350869  1
  Al  Al24  1  0.619276  0.369347  0.351129  1
  Al  Al25  1  0.827469  0.827680  0.368578  1
  Al  Al26  1  0.326852  0.327088  0.368363  1
  Al  Al27  1  0.409437  0.911506  0.334691  1
  Al  Al28  1  0.911301  0.409644  0.334688  1
  Al  Al29  1  0.493564  0.493862  0.401323  1
  Al  Al30  1  0.158063  0.158273  0.333974  1
  Al  Al31  1  0.076756  0.578351  0.368130  1
  Al  Al32  1  0.578110  0.077005  0.368140  1
  Al  Al33  1  0.618219  0.368467  0.451454  1
  Al  Al34  1  0.118237  0.868520  0.451496  1
  Al  Al35  1  0.201623  0.452263  0.418167  1
  Al  Al36  1  0.701694  0.952232  0.418261  1
  Al  Al37  1  0.368114  0.618571  0.451453  1
  Al  Al38  1  0.868169  0.118587  0.451496  1
  Al  Al39  1  0.951936  0.701990  0.418260  1
  Al  Al40  1  0.451953  0.201930  0.418169  1
  Al  Al41  1  0.659896  0.660223  0.434780  1
  Al  Al42  1  0.160029  0.160358  0.434819  1
  Al  Al43  1  0.243355  0.744103  0.401239  1
  Al  Al44  1  0.743803  0.243663  0.401242  1
  Al  Al45  1  0.326420  0.326788  0.468210  1
  Al  Al46  1  0.993796  0.994096  0.401401  1
  Al  Al47  1  0.909937  0.410148  0.434771  1
  Al  Al48  1  0.409817  0.910263  0.434770  1
  Al  Al49  1  0.450969  0.201430  0.518289  1
  Al  Al50  1  0.950934  0.701371  0.518290  1
  Al  Al51  1  0.034535  0.284960  0.484896  1
  Al  Al52  1  0.534505  0.784905  0.484890  1
  Al  Al53  1  0.201003  0.451395  0.518289  1
  Al  Al54  1  0.700945  0.951360  0.518290  1
  Al  Al55  1  0.784519  0.534891  0.484890  1
  Al  Al56  1  0.284573  0.034922  0.484896  1
  Al  Al57  1  0.492780  0.493186  0.501598  1
  Al  Al58  1  0.992748  0.993154  0.501603  1
  Al  Al59  1  0.076403  0.576691  0.468245  1
  Al  Al60  1  0.576325  0.076766  0.468245  1
  Al  Al61  1  0.159122  0.159569  0.534953  1
  Al  Al62  1  0.826350  0.826713  0.468240  1
  Al  Al63  1  0.742764  0.243181  0.501619  1
  Al  Al64  1  0.242777  0.743170  0.501619  1
  Al  Al65  1  0.283214  0.034486  0.585049  1
  Al  Al66  1  0.783804  0.534101  0.585083  1
  Al  Al67  1  0.867422  0.117711  0.551753  1
  Al  Al68  1  0.367394  0.617843  0.551755  1
  Al  Al69  1  0.033980  0.283718  0.585052  1
  Al  Al70  1  0.533608  0.784296  0.585082  1
  Al  Al71  1  0.617384  0.367853  0.551756  1
  Al  Al72  1  0.117249  0.867882  0.551752  1
  Al  Al73  1  0.325611  0.326102  0.568335  1
  Al  Al74  1  0.825615  0.826102  0.568358  1
  Al  Al75  1  0.909137  0.409520  0.534998  1
  Al  Al76  1  0.409079  0.909581  0.534998  1
  Al  Al77  1  0.992031  0.992538  0.602097  1
  Al  Al78  1  0.659133  0.659574  0.535000  1
  Al  Al79  1  0.575541  0.076015  0.568321  1
  Al  Al80  1  0.075524  0.576029  0.568320  1
  Al  Al81  1  0.117415  0.867524  0.652547  1
  Al  Al82  1  0.617107  0.366360  0.652143  1
  Al  Al83  1  0.700200  0.950777  0.618353  1
  Al  Al84  1  0.199989  0.450500  0.618268  1
  Al  Al85  1  0.866962  0.117970  0.652544  1
  Al  Al86  1  0.365775  0.617667  0.652138  1
  Al  Al87  1  0.449941  0.200556  0.618269  1
  Al  Al88  1  0.950229  0.700757  0.618353  1
  Al  Al89  1  0.157879  0.158430  0.635526  1
  Al  Al90  1  0.658307  0.658829  0.635085  1
  Al  Al91  1  0.742118  0.242261  0.601908  1
  Al  Al92  1  0.241742  0.742631  0.601905  1
  Al  Al93  1  0.827087  0.827717  0.668024  1
  Al  Al94  1  0.492041  0.492555  0.601976  1
  Al  Al95  1  0.406966  0.910372  0.634949  1
  Al  Al96  1  0.909819  0.407531  0.634959  1
  Al  Al97  1  0.954089  0.701730  0.717036  1
  Al  Al98  1  0.452742  0.203473  0.716958  1
  Al  Al99  1  0.533875  0.788845  0.683853  1
  Al  Al100  1  0.036006  0.287191  0.685959  1
  Al  Al101  1  0.700829  0.954861  0.717032  1
  Al  Al102  1  0.202623  0.453610  0.716960  1
  Al  Al103  1  0.286658  0.036542  0.685956  1
  Al  Al104  1  0.788290  0.534457  0.683883  1
  Al  Al105  1  0.996684  0.997341  0.703225  1
  Al  Al106  1  0.493956  0.494598  0.701422  1
  Al  Al107  1  0.577379  0.077624  0.668076  1
  Al  Al108  1  0.076979  0.578029  0.668080  1
  Al  Al109  1  0.660650  0.661592  0.731187  1
  Al  Al110  1  0.325177  0.325833  0.667650  1
  Al  Al111  1  0.251790  0.748990  0.703887  1
  Al  Al112  1  0.748330  0.252367  0.703878  1
