# generated using pymatgen
data_Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.99025614
_cell_length_b   8.98711744
_cell_length_c   49.60755929
_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   3927.13615633
_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  0.025695  0.776550  0.291679  1
  Al  Al2  1  0.525695  0.276550  0.291679  1
  Al  Al3  1  0.440672  0.691546  0.324413  1
  Al  Al4  1  0.940672  0.191546  0.324413  1
  Al  Al5  1  0.775695  0.026550  0.291679  1
  Al  Al6  1  0.275695  0.526550  0.291679  1
  Al  Al7  1  0.190672  0.941546  0.324413  1
  Al  Al8  1  0.690672  0.441546  0.324413  1
  Al  Al9  1  0.065597  0.066503  0.276578  1
  Al  Al10  1  0.565597  0.566503  0.276578  1
  Al  Al11  1  0.482527  0.983383  0.306854  1
  Al  Al12  1  0.982527  0.483383  0.306854  1
  Al  Al13  1  0.732527  0.733383  0.306854  1
  Al  Al14  1  0.232527  0.233383  0.306854  1
  Al  Al15  1  0.315597  0.816503  0.276578  1
  Al  Al16  1  0.815597  0.316503  0.276578  1
  Al  Al17  1  0.857956  0.608813  0.356582  1
  Al  Al18  1  0.357956  0.108813  0.356582  1
  Al  Al19  1  0.273829  0.524681  0.390442  1
  Al  Al20  1  0.773829  0.024681  0.390442  1
  Al  Al21  1  0.607956  0.858813  0.356582  1
  Al  Al22  1  0.107956  0.358813  0.356582  1
  Al  Al23  1  0.023829  0.774681  0.390442  1
  Al  Al24  1  0.523829  0.274681  0.390442  1
  Al  Al25  1  0.899185  0.900043  0.340197  1
  Al  Al26  1  0.399185  0.400043  0.340197  1
  Al  Al27  1  0.316017  0.816875  0.373940  1
  Al  Al28  1  0.816017  0.316875  0.373940  1
  Al  Al29  1  0.566017  0.566875  0.373940  1
  Al  Al30  1  0.066017  0.066875  0.373940  1
  Al  Al31  1  0.149185  0.650043  0.340197  1
  Al  Al32  1  0.649185  0.150043  0.340197  1
  Al  Al33  1  0.690384  0.441228  0.424051  1
  Al  Al34  1  0.190384  0.941228  0.424051  1
  Al  Al35  1  0.106854  0.357689  0.457461  1
  Al  Al36  1  0.606854  0.857689  0.457461  1
  Al  Al37  1  0.440384  0.691228  0.424051  1
  Al  Al38  1  0.940384  0.191228  0.424051  1
  Al  Al39  1  0.856854  0.607689  0.457461  1
  Al  Al40  1  0.356854  0.107689  0.457461  1
  Al  Al41  1  0.732207  0.733054  0.407130  1
  Al  Al42  1  0.232207  0.233054  0.407130  1
  Al  Al43  1  0.148564  0.649403  0.440724  1
  Al  Al44  1  0.648564  0.149403  0.440724  1
  Al  Al45  1  0.398564  0.399403  0.440724  1
  Al  Al46  1  0.898564  0.899403  0.440724  1
  Al  Al47  1  0.982207  0.483054  0.407130  1
  Al  Al48  1  0.482207  0.983054  0.407130  1
  Al  Al49  1  0.523292  0.274119  0.490988  1
  Al  Al50  1  0.023292  0.774119  0.490988  1
  Al  Al51  1  0.939772  0.190591  0.524474  1
  Al  Al52  1  0.439772  0.690591  0.524474  1
  Al  Al53  1  0.273292  0.524119  0.490988  1
  Al  Al54  1  0.773292  0.024119  0.490988  1
  Al  Al55  1  0.689772  0.440591  0.524474  1
  Al  Al56  1  0.189772  0.940591  0.524474  1
  Al  Al57  1  0.565074  0.565906  0.474250  1
  Al  Al58  1  0.065074  0.065906  0.474250  1
  Al  Al59  1  0.981554  0.482377  0.507736  1
  Al  Al60  1  0.481554  0.982377  0.507736  1
  Al  Al61  1  0.231554  0.232377  0.507736  1
  Al  Al62  1  0.731554  0.732377  0.507736  1
  Al  Al63  1  0.815074  0.315906  0.474250  1
  Al  Al64  1  0.315074  0.815906  0.474250  1
  Al  Al65  1  0.356282  0.107093  0.558000  1
  Al  Al66  1  0.856282  0.607093  0.558000  1
  Al  Al67  1  0.772639  0.023442  0.591594  1
  Al  Al68  1  0.272639  0.523442  0.591594  1
  Al  Al69  1  0.106282  0.357093  0.558000  1
  Al  Al70  1  0.606282  0.857093  0.558000  1
  Al  Al71  1  0.522639  0.273442  0.591594  1
  Al  Al72  1  0.022639  0.773442  0.591594  1
  Al  Al73  1  0.397992  0.398807  0.541263  1
  Al  Al74  1  0.897992  0.898807  0.541263  1
  Al  Al75  1  0.814462  0.315268  0.574672  1
  Al  Al76  1  0.314462  0.815268  0.574672  1
  Al  Al77  1  0.064462  0.065268  0.574672  1
  Al  Al78  1  0.564462  0.565268  0.574672  1
  Al  Al79  1  0.647992  0.148807  0.541263  1
  Al  Al80  1  0.147992  0.648807  0.541263  1
  Al  Al81  1  0.188829  0.939621  0.624783  1
  Al  Al82  1  0.688829  0.439621  0.624783  1
  Al  Al83  1  0.605661  0.856453  0.658526  1
  Al  Al84  1  0.105661  0.356453  0.658526  1
  Al  Al85  1  0.938829  0.189621  0.624783  1
  Al  Al86  1  0.438829  0.689621  0.624783  1
  Al  Al87  1  0.355661  0.106453  0.658526  1
  Al  Al88  1  0.855661  0.606453  0.658526  1
  Al  Al89  1  0.231017  0.231816  0.608282  1
  Al  Al90  1  0.731017  0.731816  0.608282  1
  Al  Al91  1  0.646890  0.147683  0.642141  1
  Al  Al92  1  0.146890  0.647683  0.642141  1
  Al  Al93  1  0.896890  0.897683  0.642141  1
  Al  Al94  1  0.396890  0.397683  0.642141  1
  Al  Al95  1  0.481017  0.981816  0.608282  1
  Al  Al96  1  0.981017  0.481816  0.608282  1
  Al  Al97  1  0.022319  0.773113  0.691870  1
  Al  Al98  1  0.522319  0.273113  0.691870  1
  Al  Al99  1  0.439249  0.689993  0.722146  1
  Al  Al100  1  0.939249  0.189993  0.722146  1
  Al  Al101  1  0.772319  0.023113  0.691870  1
  Al  Al102  1  0.272319  0.523113  0.691870  1
  Al  Al103  1  0.189249  0.939993  0.722146  1
  Al  Al104  1  0.689249  0.439993  0.722146  1
  Al  Al105  1  0.064174  0.064950  0.674311  1
  Al  Al106  1  0.564174  0.564950  0.674311  1
  Al  Al107  1  0.479151  0.979946  0.707045  1
  Al  Al108  1  0.979151  0.479946  0.707045  1
  Al  Al109  1  0.729151  0.729946  0.707045  1
  Al  Al110  1  0.229151  0.229946  0.707045  1
  Al  Al111  1  0.314174  0.814950  0.674311  1
  Al  Al112  1  0.814174  0.314950  0.674311  1
