# generated using pymatgen
data_Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.93750949
_cell_length_b   8.93982811
_cell_length_c   49.54928831
_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   3878.99055511
_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  0.981665  0.982192  0.305320  1
  Al  Al2  1  0.481665  0.482192  0.305320  1
  Al  Al3  1  0.567720  0.068164  0.273808  1
  Al  Al4  1  0.067720  0.568164  0.273808  1
  Al  Al5  1  0.817720  0.818164  0.273808  1
  Al  Al6  1  0.317720  0.318164  0.273808  1
  Al  Al7  1  0.231665  0.732192  0.305320  1
  Al  Al8  1  0.731665  0.232192  0.305320  1
  Al  Al9  1  0.939345  0.689838  0.322995  1
  Al  Al10  1  0.439345  0.189838  0.322995  1
  Al  Al11  1  0.522730  0.773229  0.288468  1
  Al  Al12  1  0.022730  0.273229  0.288468  1
  Al  Al13  1  0.689345  0.939838  0.322995  1
  Al  Al14  1  0.189345  0.439838  0.322995  1
  Al  Al15  1  0.272730  0.023229  0.288468  1
  Al  Al16  1  0.772730  0.523229  0.288468  1
  Al  Al17  1  0.816041  0.816555  0.372460  1
  Al  Al18  1  0.316041  0.316555  0.372460  1
  Al  Al19  1  0.398899  0.899411  0.338663  1
  Al  Al20  1  0.898899  0.399411  0.338663  1
  Al  Al21  1  0.648899  0.649411  0.338663  1
  Al  Al22  1  0.148899  0.149411  0.338663  1
  Al  Al23  1  0.066041  0.566555  0.372460  1
  Al  Al24  1  0.566041  0.066555  0.372460  1
  Al  Al25  1  0.774009  0.524529  0.388843  1
  Al  Al26  1  0.274009  0.024529  0.388843  1
  Al  Al27  1  0.357733  0.608252  0.355261  1
  Al  Al28  1  0.857733  0.108252  0.355261  1
  Al  Al29  1  0.524009  0.774529  0.388843  1
  Al  Al30  1  0.024009  0.274529  0.388843  1
  Al  Al31  1  0.107733  0.858252  0.355261  1
  Al  Al32  1  0.607733  0.358252  0.355261  1
  Al  Al33  1  0.648878  0.649407  0.438976  1
  Al  Al34  1  0.148878  0.149407  0.438976  1
  Al  Al35  1  0.232488  0.733012  0.405527  1
  Al  Al36  1  0.732488  0.233012  0.405527  1
  Al  Al37  1  0.482488  0.483012  0.405527  1
  Al  Al38  1  0.982488  0.983012  0.405527  1
  Al  Al39  1  0.898878  0.399407  0.438976  1
  Al  Al40  1  0.398878  0.899407  0.438976  1
  Al  Al41  1  0.607193  0.357726  0.455667  1
  Al  Al42  1  0.107193  0.857726  0.455667  1
  Al  Al43  1  0.190668  0.441194  0.422365  1
  Al  Al44  1  0.690668  0.941194  0.422365  1
  Al  Al45  1  0.357193  0.607726  0.455667  1
  Al  Al46  1  0.857193  0.107726  0.455667  1
  Al  Al47  1  0.940668  0.691194  0.422365  1
  Al  Al48  1  0.440668  0.191194  0.422365  1
  Al  Al49  1  0.481959  0.482502  0.505772  1
  Al  Al50  1  0.981959  0.982502  0.505772  1
  Al  Al51  1  0.065433  0.565968  0.472396  1
  Al  Al52  1  0.565433  0.065968  0.472396  1
  Al  Al53  1  0.315433  0.315968  0.472396  1
  Al  Al54  1  0.815433  0.815968  0.472396  1
  Al  Al55  1  0.731959  0.232502  0.505772  1
  Al  Al56  1  0.231959  0.732502  0.505772  1
  Al  Al57  1  0.440197  0.190743  0.522454  1
  Al  Al58  1  0.940197  0.690743  0.522454  1
  Al  Al59  1  0.023671  0.274210  0.489078  1
  Al  Al60  1  0.523671  0.774210  0.489078  1
  Al  Al61  1  0.190197  0.440743  0.522454  1
  Al  Al62  1  0.690197  0.940743  0.522454  1
  Al  Al63  1  0.773671  0.524210  0.489078  1
  Al  Al64  1  0.273671  0.024210  0.489078  1
  Al  Al65  1  0.314962  0.315518  0.572485  1
  Al  Al66  1  0.814962  0.815518  0.572485  1
  Al  Al67  1  0.898437  0.398986  0.539183  1
  Al  Al68  1  0.398437  0.898986  0.539183  1
  Al  Al69  1  0.148437  0.148986  0.539183  1
  Al  Al70  1  0.648437  0.648986  0.539183  1
  Al  Al71  1  0.564962  0.065518  0.572485  1
  Al  Al72  1  0.064962  0.565518  0.572485  1
  Al  Al73  1  0.273142  0.023699  0.589323  1
  Al  Al74  1  0.773142  0.523699  0.589323  1
  Al  Al75  1  0.856752  0.107304  0.555874  1
  Al  Al76  1  0.356752  0.607304  0.555874  1
  Al  Al77  1  0.023142  0.273699  0.589323  1
  Al  Al78  1  0.523142  0.773699  0.589323  1
  Al  Al79  1  0.606752  0.357304  0.555874  1
  Al  Al80  1  0.106752  0.857304  0.555874  1
  Al  Al81  1  0.147897  0.148460  0.639588  1
  Al  Al82  1  0.647897  0.648460  0.639588  1
  Al  Al83  1  0.731621  0.232183  0.606006  1
  Al  Al84  1  0.231621  0.732183  0.606006  1
  Al  Al85  1  0.981621  0.982183  0.606006  1
  Al  Al86  1  0.481621  0.482183  0.606006  1
  Al  Al87  1  0.397897  0.898460  0.639588  1
  Al  Al88  1  0.897897  0.398460  0.639588  1
  Al  Al89  1  0.106731  0.857301  0.656186  1
  Al  Al90  1  0.606731  0.357301  0.656186  1
  Al  Al91  1  0.689589  0.940157  0.622389  1
  Al  Al92  1  0.189589  0.440157  0.622389  1
  Al  Al93  1  0.856731  0.107301  0.656186  1
  Al  Al94  1  0.356731  0.607301  0.656186  1
  Al  Al95  1  0.439589  0.190157  0.622389  1
  Al  Al96  1  0.939589  0.690157  0.622389  1
  Al  Al97  1  0.982900  0.983482  0.706382  1
  Al  Al98  1  0.482900  0.483482  0.706382  1
  Al  Al99  1  0.566285  0.066874  0.671855  1
  Al  Al100  1  0.066285  0.566874  0.671855  1
  Al  Al101  1  0.816285  0.816874  0.671855  1
  Al  Al102  1  0.316285  0.316874  0.671855  1
  Al  Al103  1  0.232900  0.733482  0.706382  1
  Al  Al104  1  0.732900  0.233482  0.706382  1
  Al  Al105  1  0.937910  0.688547  0.721042  1
  Al  Al106  1  0.437910  0.188547  0.721042  1
  Al  Al107  1  0.523965  0.774519  0.689530  1
  Al  Al108  1  0.023965  0.274519  0.689530  1
  Al  Al109  1  0.687910  0.938547  0.721042  1
  Al  Al110  1  0.187910  0.438547  0.721042  1
  Al  Al111  1  0.273965  0.024519  0.689530  1
  Al  Al112  1  0.773965  0.524519  0.689530  1
