# generated using pymatgen
data_Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.67245250
_cell_length_b   12.69409975
_cell_length_c   49.89714709
_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   3501.95283482
_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  0.950710  0.895864  0.289981  1
  Al  Al2  1  0.109991  0.214476  0.306743  1
  Al  Al3  1  0.267373  0.529196  0.324263  1
  Al  Al4  1  0.109991  0.714476  0.306743  1
  Al  Al5  1  0.267373  0.029196  0.324263  1
  Al  Al6  1  0.950710  0.395864  0.289981  1
  Al  Al7  1  0.609991  0.714476  0.306743  1
  Al  Al8  1  0.767373  0.029196  0.324263  1
  Al  Al9  1  0.450710  0.395864  0.289981  1
  Al  Al10  1  0.450710  0.895864  0.289981  1
  Al  Al11  1  0.609991  0.214476  0.306743  1
  Al  Al12  1  0.767373  0.529196  0.324263  1
  Al  Al13  1  0.425125  0.844702  0.342692  1
  Al  Al14  1  0.583205  0.160861  0.360898  1
  Al  Al15  1  0.741140  0.476731  0.379383  1
  Al  Al16  1  0.583205  0.660861  0.360898  1
  Al  Al17  1  0.741140  0.976731  0.379383  1
  Al  Al18  1  0.425125  0.344702  0.342692  1
  Al  Al19  1  0.083205  0.660861  0.360898  1
  Al  Al20  1  0.241140  0.976731  0.379383  1
  Al  Al21  1  0.925125  0.344702  0.342692  1
  Al  Al22  1  0.925125  0.844702  0.342692  1
  Al  Al23  1  0.083205  0.160861  0.360898  1
  Al  Al24  1  0.241140  0.476731  0.379383  1
  Al  Al25  1  0.898842  0.792133  0.398275  1
  Al  Al26  1  0.056643  0.107736  0.416801  1
  Al  Al27  1  0.214599  0.423645  0.435446  1
  Al  Al28  1  0.056643  0.607736  0.416801  1
  Al  Al29  1  0.214599  0.923645  0.435446  1
  Al  Al30  1  0.898842  0.292133  0.398275  1
  Al  Al31  1  0.556643  0.607736  0.416801  1
  Al  Al32  1  0.714599  0.923645  0.435446  1
  Al  Al33  1  0.398842  0.292133  0.398275  1
  Al  Al34  1  0.398842  0.792133  0.398275  1
  Al  Al35  1  0.556643  0.107736  0.416801  1
  Al  Al36  1  0.714599  0.423645  0.435446  1
  Al  Al37  1  0.372415  0.739277  0.454122  1
  Al  Al38  1  0.530305  0.055058  0.472738  1
  Al  Al39  1  0.688193  0.370830  0.491364  1
  Al  Al40  1  0.530305  0.555058  0.472738  1
  Al  Al41  1  0.688193  0.870830  0.491364  1
  Al  Al42  1  0.372415  0.239277  0.454122  1
  Al  Al43  1  0.030305  0.555058  0.472738  1
  Al  Al44  1  0.188193  0.870830  0.491364  1
  Al  Al45  1  0.872415  0.239277  0.454122  1
  Al  Al46  1  0.872415  0.739277  0.454122  1
  Al  Al47  1  0.030305  0.055058  0.472738  1
  Al  Al48  1  0.188193  0.370830  0.491364  1
  Al  Al49  1  0.846054  0.686553  0.510023  1
  Al  Al50  1  1.003941  1.002325  0.528649  1
  Al  Al51  1  0.161831  0.318107  0.547265  1
  Al  Al52  1  1.003941  0.502325  0.528649  1
  Al  Al53  1  0.161831  0.818107  0.547265  1
  Al  Al54  1  0.846054  0.186553  0.510023  1
  Al  Al55  1  0.503941  0.502325  0.528649  1
  Al  Al56  1  0.661831  0.818107  0.547265  1
  Al  Al57  1  0.346054  0.186553  0.510023  1
  Al  Al58  1  0.346054  0.686553  0.510023  1
  Al  Al59  1  0.503941  1.002325  0.528649  1
  Al  Al60  1  0.661831  0.318107  0.547265  1
  Al  Al61  1  0.319648  0.633738  0.565941  1
  Al  Al62  1  0.477604  0.949647  0.584586  1
  Al  Al63  1  0.635404  0.265250  0.603112  1
  Al  Al64  1  0.477604  0.449647  0.584586  1
  Al  Al65  1  0.635404  0.765250  0.603112  1
  Al  Al66  1  0.319648  0.133738  0.565941  1
  Al  Al67  1  0.977604  0.449647  0.584586  1
  Al  Al68  1  0.135404  0.765250  0.603112  1
  Al  Al69  1  0.819648  0.133738  0.565941  1
  Al  Al70  1  0.819648  0.633738  0.565941  1
  Al  Al71  1  0.977604  0.949647  0.584586  1
  Al  Al72  1  0.135404  0.265250  0.603112  1
  Al  Al73  1  0.793106  0.580653  0.622004  1
  Al  Al74  1  0.951041  0.896523  0.640489  1
  Al  Al75  1  0.109121  0.212681  0.658695  1
  Al  Al76  1  0.951041  0.396523  0.640489  1
  Al  Al77  1  0.109121  0.712681  0.658695  1
  Al  Al78  1  0.793106  0.080653  0.622004  1
  Al  Al79  1  0.451041  0.396523  0.640489  1
  Al  Al80  1  0.609121  0.712681  0.658695  1
  Al  Al81  1  0.293106  0.080653  0.622004  1
  Al  Al82  1  0.293106  0.580653  0.622004  1
  Al  Al83  1  0.451041  0.896523  0.640489  1
  Al  Al84  1  0.609121  0.212681  0.658695  1
  Al  Al85  1  0.266873  0.528187  0.677124  1
  Al  Al86  1  0.424255  0.842908  0.694644  1
  Al  Al87  1  0.583537  0.161519  0.711406  1
  Al  Al88  1  0.424255  0.342908  0.694644  1
  Al  Al89  1  0.583537  0.661519  0.711406  1
  Al  Al90  1  0.266873  0.028187  0.677124  1
  Al  Al91  1  0.924255  0.342908  0.694644  1
  Al  Al92  1  0.083537  0.661519  0.711406  1
  Al  Al93  1  0.766873  0.028187  0.677124  1
  Al  Al94  1  0.766873  0.528187  0.677124  1
  Al  Al95  1  0.924255  0.842908  0.694644  1
  Al  Al96  1  0.083537  0.161519  0.711406  1
