# generated using pymatgen
data_Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.02847145
_cell_length_b   9.01846238
_cell_length_c   49.66995434
_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   3962.56230771
_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  0.036803  0.789671  0.287104  1
  Al  Al2  1  0.535171  0.287023  0.286894  1
  Al  Al3  1  0.451407  0.702747  0.320582  1
  Al  Al4  1  0.952365  0.202470  0.319836  1
  Al  Al5  1  0.787644  0.038706  0.287097  1
  Al  Al6  1  0.285090  0.537095  0.286896  1
  Al  Al7  1  0.200703  0.954146  0.319864  1
  Al  Al8  1  0.700931  0.453236  0.320581  1
  Al  Al9  1  0.908921  0.910649  0.336626  1
  Al  Al10  1  0.576408  0.578595  0.271713  1
  Al  Al11  1  0.495303  0.994332  0.302884  1
  Al  Al12  1  0.992580  0.497092  0.302883  1
  Al  Al13  1  0.743746  0.745491  0.302745  1
  Al  Al14  1  0.241896  0.243635  0.302522  1
  Al  Al15  1  0.329385  0.824942  0.272234  1
  Al  Al16  1  0.822756  0.331569  0.272229  1
  Al  Al17  1  0.867613  0.619393  0.353075  1
  Al  Al18  1  0.367585  0.119157  0.352753  1
  Al  Al19  1  0.283572  0.535262  0.386460  1
  Al  Al20  1  0.783806  0.035244  0.386630  1
  Al  Al21  1  0.617798  0.869204  0.353074  1
  Al  Al22  1  0.117560  0.369157  0.352748  1
  Al  Al23  1  0.033760  0.785297  0.386630  1
  Al  Al24  1  0.533793  0.285052  0.386460  1
  Al  Al25  1  0.741989  0.743379  0.403289  1
  Al  Al26  1  0.408500  0.410207  0.336304  1
  Al  Al27  1  0.325205  0.827962  0.370026  1
  Al  Al28  1  0.826412  0.326754  0.370015  1
  Al  Al29  1  0.575516  0.577078  0.370237  1
  Al  Al30  1  0.075741  0.077318  0.369924  1
  Al  Al31  1  0.159184  0.661719  0.336418  1
  Al  Al32  1  0.660012  0.160899  0.336414  1
  Al  Al33  1  0.700239  0.451153  0.420056  1
  Al  Al34  1  0.199932  0.951582  0.420056  1
  Al  Al35  1  0.116404  0.367395  0.453331  1
  Al  Al36  1  0.616215  0.867561  0.453382  1
  Al  Al37  1  0.449828  0.701561  0.420060  1
  Al  Al38  1  0.950244  0.201267  0.420053  1
  Al  Al39  1  0.866389  0.617387  0.453380  1
  Al  Al40  1  0.366223  0.117577  0.453333  1
  Al  Al41  1  0.574401  0.575501  0.470085  1
  Al  Al42  1  0.241960  0.243346  0.403075  1
  Al  Al43  1  0.158147  0.659364  0.436664  1
  Al  Al44  1  0.658110  0.159402  0.436666  1
  Al  Al45  1  0.408128  0.409377  0.436583  1
  Al  Al46  1  0.908152  0.909410  0.436732  1
  Al  Al47  1  0.992124  0.493195  0.403181  1
  Al  Al48  1  0.491812  0.993511  0.403185  1
  Al  Al49  1  0.532478  0.283562  0.486747  1
  Al  Al50  1  0.032530  0.783515  0.486812  1
  Al  Al51  1  0.948813  0.199606  0.520225  1
  Al  Al52  1  0.448722  0.699699  0.520165  1
  Al  Al53  1  0.282534  0.533507  0.486747  1
  Al  Al54  1  0.782482  0.033562  0.486813  1
  Al  Al55  1  0.698821  0.449600  0.520164  1
  Al  Al56  1  0.198725  0.949695  0.520226  1
  Al  Al57  1  0.406847  0.407651  0.536854  1
  Al  Al58  1  0.074420  0.075528  0.470144  1
  Al  Al59  1  0.990758  0.491514  0.503500  1
  Al  Al60  1  0.490560  0.991712  0.503502  1
  Al  Al61  1  0.240650  0.241603  0.503495  1
  Al  Al62  1  0.740654  0.741608  0.503506  1
  Al  Al63  1  0.824506  0.325426  0.470117  1
  Al  Al64  1  0.324321  0.825611  0.470119  1
  Al  Al65  1  0.364905  0.115837  0.553662  1
  Al  Al66  1  0.865127  0.615653  0.553624  1
  Al  Al67  1  0.781058  0.031991  0.587037  1
  Al  Al68  1  0.281394  0.531527  0.587004  1
  Al  Al69  1  0.115104  0.365637  0.553660  1
  Al  Al70  1  0.614919  0.865861  0.553626  1
  Al  Al71  1  0.530941  0.281977  0.587008  1
  Al  Al72  1  0.031390  0.781656  0.587034  1
  Al  Al73  1  0.239426  0.239944  0.603912  1
  Al  Al74  1  0.906871  0.907686  0.536938  1
  Al  Al75  1  0.823191  0.323713  0.570269  1
  Al  Al76  1  0.323059  0.823845  0.570271  1
  Al  Al77  1  0.073153  0.073811  0.570348  1
  Al  Al78  1  0.573137  0.573785  0.570177  1
  Al  Al79  1  0.656787  0.157745  0.536900  1
  Al  Al80  1  0.156934  0.657597  0.536899  1
  Al  Al81  1  0.197491  0.947993  0.620408  1
  Al  Al82  1  0.697406  0.447966  0.620184  1
  Al  Al83  1  0.613677  0.864098  0.653868  1
  Al  Al84  1  0.113924  0.364235  0.654192  1
  Al  Al85  1  0.947569  0.197924  0.620407  1
  Al  Al86  1  0.447559  0.697823  0.620184  1
  Al  Al87  1  0.363932  0.114221  0.654190  1
  Al  Al88  1  0.863794  0.613955  0.653863  1
  Al  Al89  1  0.071378  0.071562  0.670500  1
  Al  Al90  1  0.739378  0.739890  0.603702  1
  Al  Al91  1  0.654735  0.156843  0.637133  1
  Al  Al92  1  0.156467  0.655104  0.637120  1
  Al  Al93  1  0.905459  0.905867  0.637062  1
  Al  Al94  1  0.405384  0.405767  0.637367  1
  Al  Al95  1  0.489174  0.990089  0.603807  1
  Al  Al96  1  0.989575  0.489681  0.603802  1
  Al  Al97  1  0.031623  0.778239  0.686737  1
  Al  Al98  1  0.529201  0.280527  0.687673  1
  Al  Al99  1  0.446590  0.695419  0.718953  1
  Al  Al100  1  0.944204  0.195988  0.719538  1
  Al  Al101  1  0.778067  0.031821  0.686769  1
  Al  Al102  1  0.280309  0.529424  0.687670  1
  Al  Al103  1  0.196035  0.943991  0.719531  1
  Al  Al104  1  0.695576  0.446442  0.718955  1
  Al  Al105  1  0.906890  0.906602  0.733679  1
  Al  Al106  1  0.571793  0.571949  0.670016  1
  Al  Al107  1  0.488800  0.987186  0.703999  1
  Al  Al108  1  0.987101  0.488958  0.704004  1
  Al  Al109  1  0.737414  0.737509  0.703741  1
  Al  Al110  1  0.236527  0.236612  0.703827  1
  Al  Al111  1  0.322867  0.822244  0.670178  1
  Al  Al112  1  0.822090  0.323036  0.670182  1
