# generated using pymatgen
data_Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.96745600
_cell_length_b   8.96784487
_cell_length_c   49.70850762
_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   3916.73043375
_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  0.660633  0.661355  0.335227  1
  Al  Al2  1  0.326753  0.327464  0.270619  1
  Al  Al3  1  0.245179  0.744381  0.301179  1
  Al  Al4  1  0.743658  0.245901  0.301179  1
  Al  Al5  1  0.989498  0.990221  0.299878  1
  Al  Al6  1  0.493239  0.493963  0.301008  1
  Al  Al7  1  0.577510  0.077031  0.271064  1
  Al  Al8  1  0.076320  0.578221  0.271064  1
  Al  Al9  1  0.703970  0.950480  0.318383  1
  Al  Al10  1  0.202136  0.452085  0.319435  1
  Al  Al11  1  0.283053  0.034601  0.285216  1
  Al  Al12  1  0.784272  0.537575  0.285433  1
  Al  Al13  1  0.949759  0.704691  0.318382  1
  Al  Al14  1  0.451365  0.202856  0.319435  1
  Al  Al15  1  0.536860  0.784991  0.285433  1
  Al  Al16  1  0.033883  0.283772  0.285216  1
  Al  Al17  1  0.493735  0.494463  0.401727  1
  Al  Al18  1  0.159425  0.160147  0.334797  1
  Al  Al19  1  0.076910  0.579092  0.368388  1
  Al  Al20  1  0.578367  0.077635  0.368389  1
  Al  Al21  1  0.827617  0.828342  0.368584  1
  Al  Al22  1  0.327330  0.328055  0.368639  1
  Al  Al23  1  0.410547  0.911927  0.335142  1
  Al  Al24  1  0.911204  0.411270  0.335142  1
  Al  Al25  1  0.535408  0.786213  0.385080  1
  Al  Al26  1  0.035431  0.286100  0.385012  1
  Al  Al27  1  0.118988  0.870282  0.351287  1
  Al  Al28  1  0.619539  0.370148  0.351469  1
  Al  Al29  1  0.785486  0.536135  0.385080  1
  Al  Al30  1  0.285373  0.036158  0.385012  1
  Al  Al31  1  0.369423  0.620264  0.351469  1
  Al  Al32  1  0.869557  0.119713  0.351288  1
  Al  Al33  1  0.326281  0.327015  0.468574  1
  Al  Al34  1  0.993719  0.994447  0.401666  1
  Al  Al35  1  0.909943  0.410623  0.435159  1
  Al  Al36  1  0.409892  0.910674  0.435159  1
  Al  Al37  1  0.659959  0.660689  0.435179  1
  Al  Al38  1  0.159948  0.160679  0.435140  1
  Al  Al39  1  0.243564  0.744497  0.401670  1
  Al  Al40  1  0.743769  0.244292  0.401670  1
  Al  Al41  1  0.368099  0.618892  0.451858  1
  Al  Al42  1  0.868164  0.118853  0.451855  1
  Al  Al43  1  0.951871  0.702547  0.418523  1
  Al  Al44  1  0.451939  0.202445  0.418490  1
  Al  Al45  1  0.618160  0.368831  0.451858  1
  Al  Al46  1  0.118121  0.868896  0.451855  1
  Al  Al47  1  0.201715  0.452669  0.418490  1
  Al  Al48  1  0.701818  0.952600  0.418523  1
  Al  Al49  1  0.158874  0.159613  0.535393  1
  Al  Al50  1  0.826295  0.827028  0.468602  1
  Al  Al51  1  0.742623  0.243305  0.501993  1
  Al  Al52  1  0.242568  0.743359  0.501993  1
  Al  Al53  1  0.492594  0.493330  0.501986  1
  Al  Al54  1  0.992594  0.993330  0.501998  1
  Al  Al55  1  0.076280  0.577017  0.468592  1
  Al  Al56  1  0.576284  0.077014  0.468592  1
  Al  Al57  1  0.200738  0.451485  0.518681  1
  Al  Al58  1  0.700755  0.951485  0.518702  1
  Al  Al59  1  0.784434  0.535147  0.485286  1
  Al  Al60  1  0.284408  0.035166  0.485274  1
  Al  Al61  1  0.450748  0.201476  0.518681  1
  Al  Al62  1  0.950747  0.701493  0.518702  1
  Al  Al63  1  0.034431  0.285143  0.485274  1
  Al  Al64  1  0.534412  0.785169  0.485286  1
  Al  Al65  1  0.991682  0.992425  0.602388  1
  Al  Al66  1  0.658894  0.659633  0.535405  1
  Al  Al67  1  0.575185  0.075965  0.568783  1
  Al  Al68  1  0.075224  0.575926  0.568782  1
  Al  Al69  1  0.325215  0.325957  0.568756  1
  Al  Al70  1  0.825261  0.826002  0.568809  1
  Al  Al71  1  0.908916  0.409581  0.535403  1
  Al  Al72  1  0.408842  0.909654  0.535403  1
  Al  Al73  1  0.033518  0.283825  0.585543  1
  Al  Al74  1  0.533231  0.784149  0.585518  1
  Al  Al75  1  0.617105  0.367770  0.552111  1
  Al  Al76  1  0.117022  0.867854  0.552146  1
  Al  Al77  1  0.283082  0.034260  0.585543  1
  Al  Al78  1  0.783406  0.533974  0.585518  1
  Al  Al79  1  0.867114  0.117762  0.552146  1
  Al  Al80  1  0.367030  0.617845  0.552111  1
  Al  Al81  1  0.825226  0.825976  0.668444  1
  Al  Al82  1  0.491533  0.492277  0.602225  1
  Al  Al83  1  0.406479  0.909609  0.635591  1
  Al  Al84  1  0.908862  0.407226  0.635591  1
  Al  Al85  1  0.157402  0.158148  0.636057  1
  Al  Al86  1  0.657577  0.658323  0.635580  1
  Al  Al87  1  0.741625  0.242199  0.602282  1
  Al  Al88  1  0.241455  0.742369  0.602282  1
  Al  Al89  1  0.866246  0.117140  0.652630  1
  Al  Al90  1  0.365638  0.616690  0.652390  1
  Al  Al91  1  0.449428  0.200394  0.618784  1
  Al  Al92  1  0.949737  0.700329  0.618822  1
  Al  Al93  1  0.116392  0.866994  0.652630  1
  Al  Al94  1  0.615942  0.366386  0.652390  1
  Al  Al95  1  0.699583  0.950483  0.618822  1
  Al  Al96  1  0.199648  0.450174  0.618784  1
  Al  Al97  1  0.659133  0.659895  0.731848  1
  Al  Al98  1  0.324150  0.324901  0.668304  1
  Al  Al99  1  0.245685  0.744662  0.703274  1
  Al  Al100  1  0.743911  0.246434  0.703274  1
  Al  Al101  1  0.992173  0.992925  0.702844  1
  Al  Al102  1  0.491062  0.491812  0.702229  1
  Al  Al103  1  0.575579  0.076352  0.668466  1
  Al  Al104  1  0.075601  0.576330  0.668466  1
  Al  Al105  1  0.698533  0.951758  0.717476  1
  Al  Al106  1  0.199212  0.451249  0.717469  1
  Al  Al107  1  0.283249  0.034124  0.686838  1
  Al  Al108  1  0.786123  0.531644  0.684853  1
  Al  Al109  1  0.951003  0.699293  0.717476  1
  Al  Al110  1  0.450491  0.199970  0.717469  1
  Al  Al111  1  0.530895  0.786872  0.684852  1
  Al  Al112  1  0.033375  0.283998  0.686838  1
