# generated using pymatgen
data_Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.95738600
_cell_length_b   8.95768030
_cell_length_c   49.99037813
_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   3930.05733435
_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  0.661684  0.662759  0.333587  1
  Al  Al2  1  0.327329  0.328397  0.270927  1
  Al  Al3  1  0.248780  0.745745  0.298197  1
  Al  Al4  1  0.744668  0.249856  0.298197  1
  Al  Al5  1  0.983523  0.984599  0.295332  1
  Al  Al6  1  0.494917  0.495994  0.297819  1
  Al  Al7  1  0.572104  0.081683  0.272673  1
  Al  Al8  1  0.080616  0.573170  0.272673  1
  Al  Al9  1  0.706300  0.950689  0.316744  1
  Al  Al10  1  0.204036  0.451411  0.318824  1
  Al  Al11  1  0.281676  0.035296  0.282742  1
  Al  Al12  1  0.787869  0.544164  0.283801  1
  Al  Al13  1  0.949616  0.707375  0.316744  1
  Al  Al14  1  0.450338  0.205108  0.318824  1
  Al  Al15  1  0.543094  0.788944  0.283801  1
  Al  Al16  1  0.034222  0.282749  0.282742  1
  Al  Al17  1  0.494972  0.496050  0.399777  1
  Al  Al18  1  0.158142  0.159217  0.332288  1
  Al  Al19  1  0.077400  0.581537  0.366626  1
  Al  Al20  1  0.580460  0.078477  0.366627  1
  Al  Al21  1  0.829160  0.830235  0.367177  1
  Al  Al22  1  0.328254  0.329330  0.367388  1
  Al  Al23  1  0.410730  0.913945  0.333230  1
  Al  Al24  1  0.912869  0.411805  0.333230  1
  Al  Al25  1  0.536258  0.787841  0.383282  1
  Al  Al26  1  0.036582  0.287353  0.383230  1
  Al  Al27  1  0.120033  0.871938  0.348868  1
  Al  Al28  1  0.620948  0.371848  0.349125  1
  Al  Al29  1  0.786764  0.537336  0.383282  1
  Al  Al30  1  0.286276  0.037659  0.383230  1
  Al  Al31  1  0.370771  0.622026  0.349125  1
  Al  Al32  1  0.870861  0.121111  0.348868  1
  Al  Al33  1  0.327701  0.328782  0.466858  1
  Al  Al34  1  0.995195  0.996274  0.399816  1
  Al  Al35  1  0.911134  0.412145  0.433401  1
  Al  Al36  1  0.411066  0.912213  0.433401  1
  Al  Al37  1  0.661173  0.662253  0.433410  1
  Al  Al38  1  0.161290  0.162370  0.433464  1
  Al  Al39  1  0.244724  0.746028  0.399653  1
  Al  Al40  1  0.744949  0.245803  0.399653  1
  Al  Al41  1  0.369422  0.620586  0.450052  1
  Al  Al42  1  0.869458  0.120597  0.450072  1
  Al  Al43  1  0.953226  0.704142  0.416867  1
  Al  Al44  1  0.453564  0.203787  0.416814  1
  Al  Al45  1  0.619506  0.370502  0.450052  1
  Al  Al46  1  0.119517  0.870539  0.450072  1
  Al  Al47  1  0.202708  0.454643  0.416814  1
  Al  Al48  1  0.703063  0.954304  0.416867  1
  Al  Al49  1  0.160310  0.161394  0.533693  1
  Al  Al50  1  0.827633  0.828714  0.466894  1
  Al  Al51  1  0.744036  0.245105  0.500305  1
  Al  Al52  1  0.244023  0.745118  0.500305  1
  Al  Al53  1  0.494026  0.495108  0.500287  1
  Al  Al54  1  0.993983  0.995065  0.500287  1
  Al  Al55  1  0.077641  0.578723  0.466917  1
  Al  Al56  1  0.577642  0.078722  0.466917  1
  Al  Al57  1  0.202235  0.453275  0.517005  1
  Al  Al58  1  0.702158  0.953244  0.517003  1
  Al  Al59  1  0.785744  0.536840  0.483589  1
  Al  Al60  1  0.285831  0.036827  0.483586  1
  Al  Al61  1  0.452192  0.203318  0.517005  1
  Al  Al62  1  0.952161  0.703241  0.517003  1
  Al  Al63  1  0.035746  0.286912  0.483586  1
  Al  Al64  1  0.535758  0.786826  0.483589  1
  Al  Al65  1  0.993454  0.994540  0.600955  1
  Al  Al66  1  0.660334  0.661417  0.533791  1
  Al  Al67  1  0.576727  0.077789  0.567078  1
  Al  Al68  1  0.076704  0.577812  0.567078  1
  Al  Al69  1  0.326805  0.327890  0.567097  1
  Al  Al70  1  0.826826  0.827911  0.567090  1
  Al  Al71  1  0.910342  0.411360  0.533789  1
  Al  Al72  1  0.410277  0.911425  0.533789  1
  Al  Al73  1  0.035340  0.285134  0.583928  1
  Al  Al74  1  0.534705  0.786125  0.583996  1
  Al  Al75  1  0.618622  0.369712  0.550515  1
  Al  Al76  1  0.118485  0.869673  0.550525  1
  Al  Al77  1  0.284049  0.036425  0.583928  1
  Al  Al78  1  0.785040  0.535790  0.583996  1
  Al  Al79  1  0.868589  0.119569  0.550525  1
  Al  Al80  1  0.368628  0.619706  0.550515  1
  Al  Al81  1  0.827848  0.828937  0.666857  1
  Al  Al82  1  0.493378  0.494463  0.600805  1
  Al  Al83  1  0.406756  0.912872  0.633943  1
  Al  Al84  1  0.911784  0.407842  0.633944  1
  Al  Al85  1  0.158517  0.159604  0.635216  1
  Al  Al86  1  0.659378  0.660463  0.634151  1
  Al  Al87  1  0.743093  0.244271  0.600761  1
  Al  Al88  1  0.243185  0.744178  0.600761  1
  Al  Al89  1  0.867897  0.119747  0.651487  1
  Al  Al90  1  0.367342  0.618048  0.651224  1
  Al  Al91  1  0.450795  0.202034  0.616980  1
  Al  Al92  1  0.951234  0.702788  0.617055  1
  Al  Al93  1  0.118660  0.868985  0.651488  1
  Al  Al94  1  0.616961  0.368429  0.651224  1
  Al  Al95  1  0.701700  0.952321  0.617055  1
  Al  Al96  1  0.200946  0.451883  0.616980  1
  Al  Al97  1  0.664008  0.665107  0.725470  1
  Al  Al98  1  0.325263  0.326354  0.666105  1
  Al  Al99  1  0.251661  0.747833  0.703312  1
  Al  Al100  1  0.746743  0.252748  0.703312  1
  Al  Al101  1  0.990924  0.992014  0.702025  1
  Al  Al102  1  0.491933  0.493021  0.701728  1
  Al  Al103  1  0.578704  0.079429  0.666497  1
  Al  Al104  1  0.078339  0.579795  0.666497  1
  Al  Al105  1  0.694549  0.954196  0.715319  1
  Al  Al106  1  0.201374  0.453898  0.714072  1
  Al  Al107  1  0.283943  0.036241  0.687081  1
  Al  Al108  1  0.791719  0.530351  0.682249  1
  Al  Al109  1  0.953106  0.695645  0.715319  1
  Al  Al110  1  0.452804  0.202469  0.714072  1
  Al  Al111  1  0.529263  0.792808  0.682247  1
  Al  Al112  1  0.035154  0.285031  0.687081  1
