# generated using pymatgen
data_Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.63696804
_cell_length_b   12.65799882
_cell_length_c   50.23812195
_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   3493.86259551
_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  0.348699  0.686114  0.330981  1
  Al  Al2  1  0.035947  0.054244  0.293179  1
  Al  Al3  1  0.196593  0.372407  0.311313  1
  Al  Al4  1  0.185816  0.869766  0.311465  1
  Al  Al5  1  0.878703  0.239956  0.277690  1
  Al  Al6  1  0.030796  0.554743  0.293167  1
  Al  Al7  1  0.696593  0.872407  0.311313  1
  Al  Al8  1  0.848699  0.186114  0.330981  1
  Al  Al9  1  0.535947  0.554244  0.293179  1
  Al  Al10  1  0.378703  0.739956  0.277690  1
  Al  Al11  1  0.530796  0.054743  0.293167  1
  Al  Al12  1  0.685816  0.369766  0.311465  1
  Al  Al13  1  0.824093  0.635930  0.385306  1
  Al  Al14  1  0.506525  1.002571  0.348458  1
  Al  Al15  1  0.665235  0.319714  0.367043  1
  Al  Al16  1  0.665682  0.819882  0.366973  1
  Al  Al17  1  0.348395  0.187480  0.329155  1
  Al  Al18  1  0.507895  0.504222  0.349085  1
  Al  Al19  1  0.165235  0.819714  0.367043  1
  Al  Al20  1  0.324093  0.135930  0.385306  1
  Al  Al21  1  1.006525  0.502571  0.348458  1
  Al  Al22  1  0.848395  0.687480  0.329155  1
  Al  Al23  1  0.007895  0.004222  0.349085  1
  Al  Al24  1  0.165682  0.319882  0.366973  1
  Al  Al25  1  0.296889  0.582636  0.441397  1
  Al  Al26  1  0.981325  0.951242  0.404325  1
  Al  Al27  1  0.139189  0.266900  0.422700  1
  Al  Al28  1  0.138974  0.766959  0.422771  1
  Al  Al29  1  0.822801  0.135413  0.385842  1
  Al  Al30  1  0.981062  0.451166  0.404164  1
  Al  Al31  1  0.639189  0.766900  0.422700  1
  Al  Al32  1  0.796889  0.082636  0.441397  1
  Al  Al33  1  0.481325  0.451242  0.404325  1
  Al  Al34  1  0.322801  0.635413  0.385842  1
  Al  Al35  1  0.481062  0.951166  0.404164  1
  Al  Al36  1  0.638974  0.266959  0.422771  1
  Al  Al37  1  0.770641  0.529872  0.496969  1
  Al  Al38  1  0.454843  0.898369  0.459868  1
  Al  Al39  1  0.612682  0.214120  0.478464  1
  Al  Al40  1  0.612746  0.714120  0.478424  1
  Al  Al41  1  0.297090  0.082777  0.441231  1
  Al  Al42  1  0.454817  0.398382  0.459931  1
  Al  Al43  1  0.112682  0.714120  0.478464  1
  Al  Al44  1  0.270641  0.029872  0.496969  1
  Al  Al45  1  0.954843  0.398369  0.459868  1
  Al  Al46  1  0.797090  0.582777  0.441231  1
  Al  Al47  1  0.954817  0.898382  0.459931  1
  Al  Al48  1  0.112746  0.214120  0.478424  1
  Al  Al49  1  0.244080  0.476906  0.552801  1
  Al  Al50  1  0.928424  0.845563  0.515607  1
  Al  Al51  1  0.086354  0.161301  0.534101  1
  Al  Al52  1  0.086328  0.661314  0.534164  1
  Al  Al53  1  0.770530  0.029811  0.497063  1
  Al  Al54  1  0.928488  0.345563  0.515568  1
  Al  Al55  1  0.586354  0.661301  0.534101  1
  Al  Al56  1  0.744080  0.976906  0.552801  1
  Al  Al57  1  0.428424  0.345563  0.515607  1
  Al  Al58  1  0.270530  0.529811  0.497063  1
  Al  Al59  1  0.428488  0.845563  0.515568  1
  Al  Al60  1  0.586328  0.161314  0.534164  1
  Al  Al61  1  0.718370  0.424270  0.608190  1
  Al  Al62  1  0.402197  0.792724  0.571261  1
  Al  Al63  1  0.560109  0.108517  0.589868  1
  Al  Al64  1  0.559846  0.608441  0.589707  1
  Al  Al65  1  0.244281  0.977047  0.552635  1
  Al  Al66  1  0.401982  0.292783  0.571332  1
  Al  Al67  1  0.060109  0.608517  0.589868  1
  Al  Al68  1  0.218370  0.924270  0.608190  1
  Al  Al69  1  0.902197  0.292724  0.571261  1
  Al  Al70  1  0.744281  0.477047  0.552635  1
  Al  Al71  1  0.901982  0.792783  0.571332  1
  Al  Al72  1  0.059846  0.108441  0.589707  1
  Al  Al73  1  0.192776  0.372203  0.664876  1
  Al  Al74  1  0.875489  0.739801  0.627059  1
  Al  Al75  1  0.033276  0.055461  0.644947  1
  Al  Al76  1  0.034645  0.557112  0.645573  1
  Al  Al77  1  0.717078  0.923753  0.608726  1
  Al  Al78  1  0.875936  0.239969  0.626989  1
  Al  Al79  1  0.533276  0.555461  0.644947  1
  Al  Al80  1  0.692776  0.872203  0.664876  1
  Al  Al81  1  0.375489  0.239801  0.627059  1
  Al  Al82  1  0.217078  0.423753  0.608726  1
  Al  Al83  1  0.375936  0.739969  0.626989  1
  Al  Al84  1  0.534645  0.057112  0.645573  1
  Al  Al85  1  0.662468  0.319727  0.716341  1
  Al  Al86  1  0.355355  0.689917  0.682567  1
  Al  Al87  1  0.510375  0.004940  0.700865  1
  Al  Al88  1  0.505223  0.505439  0.700853  1
  Al  Al89  1  0.192471  0.873569  0.663050  1
  Al  Al90  1  0.344577  0.187276  0.682718  1
  Al  Al91  1  0.010375  0.504940  0.700865  1
  Al  Al92  1  0.162468  0.819727  0.716341  1
  Al  Al93  1  0.855355  0.189917  0.682567  1
  Al  Al94  1  0.692471  0.373569  0.663050  1
  Al  Al95  1  0.844577  0.687276  0.682718  1
  Al  Al96  1  1.005223  0.005439  0.700853  1
