# generated using pymatgen
data_Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.72554082
_cell_length_b   12.75054337
_cell_length_c   47.43639482
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   102.92096638
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al
_chemical_formula_sum   Al96
_cell_volume   3375.34901232
_cell_formula_units_Z   96
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  0.952651  0.898420  0.303399  1
  Al  Al2  1  0.107149  0.213245  0.323689  1
  Al  Al3  1  0.793988  0.583908  0.283657  1
  Al  Al4  1  0.633622  0.770013  0.265736  1
  Al  Al5  1  0.790773  0.082072  0.283598  1
  Al  Al6  1  0.946680  0.397961  0.303646  1
  Al  Al7  1  0.607149  0.713245  0.323689  1
  Al  Al8  1  0.293988  0.083908  0.283657  1
  Al  Al9  1  0.452651  0.398420  0.303399  1
  Al  Al10  1  0.446680  0.897961  0.303646  1
  Al  Al11  1  0.133622  0.270013  0.265736  1
  Al  Al12  1  0.290773  0.582072  0.283598  1
  Al  Al13  1  0.423077  0.845345  0.362285  1
  Al  Al14  1  0.581391  0.161103  0.381685  1
  Al  Al15  1  0.265242  0.529174  0.342534  1
  Al  Al16  1  0.107909  0.713881  0.322564  1
  Al  Al17  1  0.265670  0.030001  0.342770  1
  Al  Al18  1  0.423621  0.345366  0.362188  1
  Al  Al19  1  0.081391  0.661103  0.381685  1
  Al  Al20  1  0.765242  0.029174  0.342534  1
  Al  Al21  1  0.923077  0.345345  0.362285  1
  Al  Al22  1  0.923621  0.845366  0.362188  1
  Al  Al23  1  0.607909  0.213881  0.322564  1
  Al  Al24  1  0.765670  0.530001  0.342770  1
  Al  Al25  1  0.896809  0.792331  0.421101  1
  Al  Al26  1  0.054441  0.107976  0.440821  1
  Al  Al27  1  0.738970  0.476712  0.401532  1
  Al  Al28  1  0.580845  0.660876  0.382026  1
  Al  Al29  1  0.738863  0.976630  0.401461  1
  Al  Al30  1  0.896600  0.292340  0.421152  1
  Al  Al31  1  0.554441  0.607976  0.440821  1
  Al  Al32  1  0.238970  0.976712  0.401532  1
  Al  Al33  1  0.396809  0.292331  0.421101  1
  Al  Al34  1  0.396600  0.792340  0.421152  1
  Al  Al35  1  0.080845  0.160876  0.382026  1
  Al  Al36  1  0.238863  0.476630  0.401461  1
  Al  Al37  1  0.370057  0.739367  0.480037  1
  Al  Al38  1  0.527916  0.055065  0.499620  1
  Al  Al39  1  0.212296  0.423679  0.460375  1
  Al  Al40  1  0.054562  0.608056  0.440701  1
  Al  Al41  1  0.212290  0.923697  0.460409  1
  Al  Al42  1  0.370121  0.239369  0.480010  1
  Al  Al43  1  0.027916  0.555065  0.499620  1
  Al  Al44  1  0.712296  0.923679  0.460375  1
  Al  Al45  1  0.870057  0.239367  0.480037  1
  Al  Al46  1  0.870121  0.739369  0.480010  1
  Al  Al47  1  0.554562  0.108056  0.440701  1
  Al  Al48  1  0.712290  0.423697  0.460409  1
  Al  Al49  1  0.843475  0.686390  0.538902  1
  Al  Al50  1  1.001202  1.002031  0.558609  1
  Al  Al51  1  0.685643  0.370718  0.519301  1
  Al  Al52  1  0.527848  0.555022  0.499691  1
  Al  Al53  1  0.685708  0.870720  0.519273  1
  Al  Al54  1  0.843468  0.186408  0.538936  1
  Al  Al55  1  0.501202  0.502031  0.558609  1
  Al  Al56  1  0.185643  0.870718  0.519301  1
  Al  Al57  1  0.343475  0.186390  0.538902  1
  Al  Al58  1  0.343468  0.686408  0.538936  1
  Al  Al59  1  0.027848  0.055022  0.499691  1
  Al  Al60  1  0.185708  0.370720  0.519273  1
  Al  Al61  1  0.316901  0.633457  0.597850  1
  Al  Al62  1  0.474920  0.949211  0.617284  1
  Al  Al63  1  0.159165  0.317747  0.578159  1
  Al  Al64  1  1.001323  0.502111  0.558489  1
  Al  Al65  1  0.158955  0.817756  0.578210  1
  Al  Al66  1  0.316795  0.133375  0.597779  1
  Al  Al67  1  0.974920  0.449211  0.617284  1
  Al  Al68  1  0.659165  0.817747  0.578159  1
  Al  Al69  1  0.816901  0.133457  0.597850  1
  Al  Al70  1  0.816795  0.633375  0.597779  1
  Al  Al71  1  0.501323  1.002111  0.558489  1
  Al  Al72  1  0.658955  0.317756  0.578210  1
  Al  Al73  1  0.790094  0.580087  0.656541  1
  Al  Al74  1  0.947855  0.896206  0.676746  1
  Al  Al75  1  0.632143  0.264721  0.637122  1
  Al  Al76  1  0.474373  0.448985  0.617625  1
  Al  Al77  1  0.632687  0.764742  0.637025  1
  Al  Al78  1  0.790522  0.080913  0.656776  1
  Al  Al79  1  0.447855  0.396206  0.676746  1
  Al  Al80  1  0.132143  0.764721  0.637122  1
  Al  Al81  1  0.290094  0.080087  0.656541  1
  Al  Al82  1  0.290522  0.580913  0.656776  1
  Al  Al83  1  0.974373  0.948985  0.617625  1
  Al  Al84  1  0.132687  0.264742  0.637025  1
  Al  Al85  1  0.264991  0.528015  0.715712  1
  Al  Al86  1  0.422142  0.840074  0.733574  1
  Al  Al87  1  0.109085  0.212127  0.695664  1
  Al  Al88  1  0.948615  0.396842  0.675621  1
  Al  Al89  1  0.103113  0.711667  0.695911  1
  Al  Al90  1  0.261777  0.026179  0.715653  1
  Al  Al91  1  0.922142  0.340074  0.733574  1
  Al  Al92  1  0.609085  0.712127  0.695664  1
  Al  Al93  1  0.764991  0.028015  0.715712  1
  Al  Al94  1  0.761777  0.526179  0.715653  1
  Al  Al95  1  0.448615  0.896842  0.675621  1
  Al  Al96  1  0.603113  0.211667  0.695911  1
