# generated using pymatgen
data_Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.64607249
_cell_length_b   12.62467117
_cell_length_c   50.33249326
_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   3496.84813015
_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  0.604938  0.866858  0.320702  1
  Al  Al2  1  0.290642  0.238266  0.284871  1
  Al  Al3  1  0.444111  0.545204  0.299703  1
  Al  Al4  1  0.290642  0.738266  0.284871  1
  Al  Al5  1  0.444111  0.045204  0.299703  1
  Al  Al6  1  0.604938  0.366858  0.320702  1
  Al  Al7  1  0.790642  0.738266  0.284871  1
  Al  Al8  1  0.944111  0.045204  0.299703  1
  Al  Al9  1  0.104938  0.366858  0.320702  1
  Al  Al10  1  0.104938  0.866858  0.320702  1
  Al  Al11  1  0.790642  0.238266  0.284871  1
  Al  Al12  1  0.944111  0.545204  0.299703  1
  Al  Al13  1  0.077572  0.812128  0.375295  1
  Al  Al14  1  0.760746  0.178476  0.338510  1
  Al  Al15  1  0.920471  0.497924  0.357224  1
  Al  Al16  1  0.760746  0.678476  0.338510  1
  Al  Al17  1  0.920471  0.997924  0.357224  1
  Al  Al18  1  0.077572  0.312128  0.375295  1
  Al  Al19  1  0.260746  0.678476  0.338510  1
  Al  Al20  1  0.420471  0.997924  0.357224  1
  Al  Al21  1  0.577572  0.312128  0.375295  1
  Al  Al22  1  0.577572  0.812128  0.375295  1
  Al  Al23  1  0.260746  0.178476  0.338510  1
  Al  Al24  1  0.420471  0.497924  0.357224  1
  Al  Al25  1  0.551464  0.759912  0.431223  1
  Al  Al26  1  0.235867  0.128717  0.394317  1
  Al  Al27  1  0.393323  0.443628  0.412532  1
  Al  Al28  1  0.235867  0.628717  0.394317  1
  Al  Al29  1  0.393323  0.943628  0.412532  1
  Al  Al30  1  0.551464  0.259912  0.431223  1
  Al  Al31  1  0.735867  0.628717  0.394317  1
  Al  Al32  1  0.893323  0.943628  0.412532  1
  Al  Al33  1  0.051464  0.259912  0.431223  1
  Al  Al34  1  0.051464  0.759912  0.431223  1
  Al  Al35  1  0.735867  0.128717  0.394317  1
  Al  Al36  1  0.893323  0.443628  0.412532  1
  Al  Al37  1  0.024808  0.706600  0.486782  1
  Al  Al38  1  0.709078  0.075138  0.449717  1
  Al  Al39  1  0.867054  0.391091  0.468292  1
  Al  Al40  1  0.709078  0.575138  0.449717  1
  Al  Al41  1  0.867054  0.891091  0.468292  1
  Al  Al42  1  0.024808  0.206600  0.486782  1
  Al  Al43  1  0.209078  0.575138  0.449717  1
  Al  Al44  1  0.367054  0.891091  0.468292  1
  Al  Al45  1  0.524808  0.206600  0.486782  1
  Al  Al46  1  0.524808  0.706600  0.486782  1
  Al  Al47  1  0.209078  0.075138  0.449717  1
  Al  Al48  1  0.367054  0.391091  0.468292  1
  Al  Al49  1  0.498443  0.653870  0.542450  1
  Al  Al50  1  0.182712  0.022408  0.505386  1
  Al  Al51  1  0.340467  0.337917  0.523876  1
  Al  Al52  1  0.182712  0.522408  0.505386  1
  Al  Al53  1  0.340467  0.837917  0.523876  1
  Al  Al54  1  0.498443  0.153870  0.542450  1
  Al  Al55  1  0.682712  0.522408  0.505386  1
  Al  Al56  1  0.840467  0.837917  0.523876  1
  Al  Al57  1  0.998443  0.153870  0.542450  1
  Al  Al58  1  0.998443  0.653870  0.542450  1
  Al  Al59  1  0.682712  0.022408  0.505386  1
  Al  Al60  1  0.840467  0.337917  0.523876  1
  Al  Al61  1  0.971653  0.600291  0.597851  1
  Al  Al62  1  0.656056  0.969096  0.560945  1
  Al  Al63  1  0.814198  0.285380  0.579636  1
  Al  Al64  1  0.656056  0.469096  0.560945  1
  Al  Al65  1  0.814198  0.785380  0.579636  1
  Al  Al66  1  0.971653  0.100291  0.597851  1
  Al  Al67  1  0.156056  0.469096  0.560945  1
  Al  Al68  1  0.314198  0.785380  0.579636  1
  Al  Al69  1  0.471653  0.100291  0.597851  1
  Al  Al70  1  0.471653  0.600291  0.597851  1
  Al  Al71  1  0.156056  0.969096  0.560945  1
  Al  Al72  1  0.314198  0.285380  0.579636  1
  Al  Al73  1  0.446774  0.550533  0.653658  1
  Al  Al74  1  0.129948  0.916880  0.616873  1
  Al  Al75  1  0.287050  0.231085  0.634944  1
  Al  Al76  1  0.129948  0.416880  0.616873  1
  Al  Al77  1  0.287050  0.731085  0.634944  1
  Al  Al78  1  0.446774  0.050533  0.653658  1
  Al  Al79  1  0.629948  0.416880  0.616873  1
  Al  Al80  1  0.787050  0.731085  0.634944  1
  Al  Al81  1  0.946774  0.050533  0.653658  1
  Al  Al82  1  0.946774  0.550533  0.653658  1
  Al  Al83  1  0.629948  0.916880  0.616873  1
  Al  Al84  1  0.787050  0.231085  0.634944  1
  Al  Al85  1  0.916878  0.490742  0.707297  1
  Al  Al86  1  0.602583  0.862150  0.671466  1
  Al  Al87  1  0.763410  0.183804  0.692465  1
  Al  Al88  1  0.602583  0.362150  0.671466  1
  Al  Al89  1  0.763410  0.683804  0.692465  1
  Al  Al90  1  0.916878  0.990742  0.707297  1
  Al  Al91  1  0.102583  0.362150  0.671466  1
  Al  Al92  1  0.263410  0.683804  0.692465  1
  Al  Al93  1  0.416878  0.990742  0.707297  1
  Al  Al94  1  0.416878  0.490742  0.707297  1
  Al  Al95  1  0.102583  0.862150  0.671466  1
  Al  Al96  1  0.263410  0.183804  0.692465  1
