# generated using pymatgen
data_Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.75823397
_cell_length_b   9.11735149
_cell_length_c   45.09035825
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   84.26082953
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al
_chemical_formula_sum   Al126
_cell_volume   4809.63454887
_cell_formula_units_Z   126
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  0.834429  0.413023  0.364321  1
  Al  Al2  1  0.167762  0.079690  0.364321  1
  Al  Al3  1  0.206412  0.476816  0.322740  1
  Al  Al4  1  0.501095  0.746356  0.364321  1
  Al  Al5  1  0.539745  0.143482  0.322740  1
  Al  Al6  1  0.517890  0.439746  0.343505  1
  Al  Al7  1  0.873078  0.810149  0.322740  1
  Al  Al8  1  0.851223  0.106413  0.343505  1
  Al  Al9  1  0.184557  0.773079  0.343505  1
  Al  Al10  1  0.722380  0.329951  0.314060  1
  Al  Al11  1  0.055714  0.996618  0.314060  1
  Al  Al12  1  0.021924  0.296914  0.331998  1
  Al  Al13  1  0.389047  0.663285  0.314060  1
  Al  Al14  1  0.355258  0.963581  0.331998  1
  Al  Al15  1  0.341626  0.259074  0.352810  1
  Al  Al16  1  0.688591  0.630247  0.331998  1
  Al  Al17  1  0.674959  0.925741  0.352810  1
  Al  Al18  1  0.008293  0.592407  0.352810  1
  Al  Al19  1  0.783881  0.316038  0.423571  1
  Al  Al20  1  0.117214  0.982705  0.423571  1
  Al  Al21  1  0.149999  0.378209  0.383058  1
  Al  Al22  1  0.450548  0.649371  0.423571  1
  Al  Al23  1  0.483332  1.044876  0.383058  1
  Al  Al24  1  0.467171  0.346348  0.403221  1
  Al  Al25  1  0.816666  0.711543  0.383058  1
  Al  Al26  1  0.800505  1.013015  0.403221  1
  Al  Al27  1  0.133838  0.679682  0.403221  1
  Al  Al28  1  0.660089  0.227060  0.373834  1
  Al  Al29  1  -0.006578  0.893727  0.373834  1
  Al  Al30  1  -0.025202  0.196018  0.393433  1
  Al  Al31  1  0.326756  0.560394  0.373834  1
  Al  Al32  1  0.308131  0.862685  0.393433  1
  Al  Al33  1  0.292990  0.165589  0.413533  1
  Al  Al34  1  0.641464  0.529352  0.393433  1
  Al  Al35  1  0.626323  0.832255  0.413533  1
  Al  Al36  1  -0.040343  0.498922  0.413533  1
  Al  Al37  1  0.732680  0.221858  0.483924  1
  Al  Al38  1  0.066013  0.888525  0.483924  1
  Al  Al39  1  0.100051  0.284446  0.443601  1
  Al  Al40  1  0.399347  0.555192  0.483924  1
  Al  Al41  1  0.433384  0.951113  0.443601  1
  Al  Al42  1  0.416513  0.253347  0.463818  1
  Al  Al43  1  0.766717  0.617780  0.443601  1
  Al  Al44  1  0.749846  0.920013  0.463818  1
  Al  Al45  1  0.083179  0.586680  0.463818  1
  Al  Al46  1  0.608298  0.133280  0.433500  1
  Al  Al47  1  -0.058369  0.799946  0.433500  1
  Al  Al48  1  0.924867  0.102120  0.453684  1
  Al  Al49  1  0.274964  0.466613  0.433500  1
  Al  Al50  1  0.258200  0.768787  0.453684  1
  Al  Al51  1  0.241291  0.070915  0.473862  1
  Al  Al52  1  0.591534  0.435454  0.453684  1
  Al  Al53  1  0.574624  0.737581  0.473862  1
  Al  Al54  1  0.907958  0.404248  0.473862  1
  Al  Al55  1  0.681868  0.128054  0.544412  1
  Al  Al56  1  0.015202  0.794721  0.544412  1
  Al  Al57  1  0.049140  0.190616  0.504105  1
  Al  Al58  1  0.348535  0.461388  0.544412  1
  Al  Al59  1  0.382473  0.857283  0.504105  1
  Al  Al60  1  0.365445  0.159280  0.524255  1
  Al  Al61  1  0.715806  0.523950  0.504105  1
  Al  Al62  1  0.698779  0.825947  0.524255  1
  Al  Al63  1  0.032112  0.492614  0.524255  1
  Al  Al64  1  0.557570  1.039557  0.494033  1
  Al  Al65  1  0.890903  0.706223  0.494033  1
  Al  Al66  1  0.873993  1.008331  0.514190  1
  Al  Al67  1  0.224236  0.372890  0.494033  1
  Al  Al68  1  0.207326  0.674997  0.514190  1
  Al  Al69  1  0.190298  0.976995  0.534340  1
  Al  Al70  1  0.540659  0.341664  0.514190  1
  Al  Al71  1  0.523631  0.643661  0.534340  1
  Al  Al72  1  0.856965  0.310328  0.534340  1
  Al  Al73  1  0.631140  1.034331  0.604944  1
  Al  Al74  1  -0.035526  0.700998  0.604944  1
  Al  Al75  1  -0.001853  0.096697  0.564583  1
  Al  Al76  1  0.297807  0.367665  0.604944  1
  Al  Al77  1  0.331480  0.763363  0.564583  1
  Al  Al78  1  0.314571  0.065491  0.584760  1
  Al  Al79  1  0.664814  0.430030  0.564583  1
  Al  Al80  1  0.647904  0.732158  0.584760  1
  Al  Al81  1  -0.018763  0.398824  0.584760  1
  Al  Al82  1  0.506758  0.945753  0.554521  1
  Al  Al83  1  0.840091  0.612420  0.554521  1
  Al  Al84  1  0.822925  0.914265  0.574627  1
  Al  Al85  1  0.173424  0.279086  0.554521  1
  Al  Al86  1  0.156258  0.580931  0.574627  1
  Al  Al87  1  0.139387  0.883165  0.594844  1
  Al  Al88  1  0.489592  0.247598  0.574627  1
  Al  Al89  1  0.472720  0.549832  0.594844  1
  Al  Al90  1  0.806054  0.216498  0.594844  1
  Al  Al91  1  0.579349  0.940551  0.664610  1
  Al  Al92  1  0.912682  0.607218  0.664610  1
  Al  Al93  1  -0.053552  1.002023  0.624911  1
  Al  Al94  1  0.246015  0.273884  0.664610  1
  Al  Al95  1  0.279781  0.668689  0.624911  1
  Al  Al96  1  0.264640  0.971593  0.645012  1
  Al  Al97  1  0.613114  0.335356  0.624911  1
  Al  Al98  1  0.597973  0.638260  0.645012  1
  Al  Al99  1  -0.068693  0.304926  0.645012  1
  Al  Al100  1  0.455557  0.851573  0.614874  1
  Al  Al101  1  0.788890  0.518240  0.614874  1
  Al  Al102  1  0.772266  0.821263  0.635224  1
  Al  Al103  1  0.122223  0.184906  0.614874  1
  Al  Al104  1  0.105600  0.487930  0.635224  1
  Al  Al105  1  0.089439  0.789402  0.655387  1
  Al  Al106  1  0.438933  0.154596  0.635224  1
  Al  Al107  1  0.422772  0.456069  0.655387  1
  Al  Al108  1  0.756106  0.122735  0.655387  1
  Al  Al109  1  0.517058  0.837660  0.724385  1
  Al  Al110  1  0.850391  0.504327  0.724385  1
  Al  Al111  1  0.897812  0.908537  0.685635  1
  Al  Al112  1  0.183724  0.170993  0.724385  1
  Al  Al113  1  0.231145  0.575204  0.685635  1
  Al  Al114  1  0.217513  0.870697  0.706447  1
  Al  Al115  1  0.564478  0.241870  0.685635  1
  Al  Al116  1  0.550847  0.537364  0.706447  1
  Al  Al117  1  0.884180  0.204031  0.706447  1
  Al  Al118  1  0.405009  0.754588  0.674123  1
  Al  Al119  1  0.738343  0.421255  0.674123  1
  Al  Al120  1  0.721548  0.727865  0.694940  1
  Al  Al121  1  0.071676  0.087922  0.674123  1
  Al  Al122  1  0.054881  0.394532  0.694940  1
  Al  Al123  1  0.033026  0.690795  0.715704  1
  Al  Al124  1  0.388215  0.061199  0.694940  1
  Al  Al125  1  0.366359  0.357462  0.715704  1
  Al  Al126  1  0.699693  1.024129  0.715704  1
