# generated using pymatgen
data_Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.94858984
_cell_length_b   8.95132638
_cell_length_c   49.67135784
_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   3898.37527448
_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  0.987660  0.988673  0.301395  1
  Al  Al2  1  0.492059  0.493076  0.303034  1
  Al  Al3  1  0.577807  0.079121  0.274777  1
  Al  Al4  1  0.078208  0.578695  0.274776  1
  Al  Al5  1  0.662094  0.663074  0.336307  1
  Al  Al6  1  0.326238  0.327143  0.274108  1
  Al  Al7  1  0.247272  0.744109  0.303449  1
  Al  Al8  1  0.743103  0.248264  0.303450  1
  Al  Al9  1  0.949753  0.705321  0.320242  1
  Al  Al10  1  0.451316  0.204025  0.321207  1
  Al  Al11  1  0.536746  0.785323  0.288203  1
  Al  Al12  1  0.034373  0.284209  0.288016  1
  Al  Al13  1  0.704337  0.950740  0.320251  1
  Al  Al14  1  0.203054  0.452282  0.321207  1
  Al  Al15  1  0.283251  0.035344  0.288017  1
  Al  Al16  1  0.784342  0.537665  0.288203  1
  Al  Al17  1  0.829698  0.830679  0.369348  1
  Al  Al18  1  0.329127  0.330114  0.369277  1
  Al  Al19  1  0.412797  0.915074  0.335959  1
  Al  Al20  1  0.914093  0.413783  0.335958  1
  Al  Al21  1  0.495274  0.496275  0.402298  1
  Al  Al22  1  0.161078  0.162062  0.335405  1
  Al  Al23  1  0.078641  0.582035  0.368839  1
  Al  Al24  1  0.581043  0.079632  0.368841  1
  Al  Al25  1  0.787503  0.538081  0.385649  1
  Al  Al26  1  0.287206  0.038263  0.385553  1
  Al  Al27  1  0.371588  0.622536  0.351755  1
  Al  Al28  1  0.872042  0.121997  0.351465  1
  Al  Al29  1  0.537087  0.788496  0.385649  1
  Al  Al30  1  0.037269  0.288202  0.385553  1
  Al  Al31  1  0.120997  0.873036  0.351464  1
  Al  Al32  1  0.621539  0.372587  0.351755  1
  Al  Al33  1  0.661451  0.662454  0.436159  1
  Al  Al34  1  0.161538  0.162542  0.436199  1
  Al  Al35  1  0.245022  0.746426  0.402177  1
  Al  Al36  1  0.745424  0.246024  0.402178  1
  Al  Al37  1  0.327967  0.328978  0.469821  1
  Al  Al38  1  0.995445  0.996446  0.402291  1
  Al  Al39  1  0.911433  0.412368  0.436165  1
  Al  Al40  1  0.411364  0.912436  0.436165  1
  Al  Al41  1  0.619736  0.370607  0.452915  1
  Al  Al42  1  0.119710  0.870694  0.452932  1
  Al  Al43  1  0.202987  0.454661  0.419349  1
  Al  Al44  1  0.703309  0.954423  0.419426  1
  Al  Al45  1  0.369598  0.620744  0.452915  1
  Al  Al46  1  0.869686  0.120718  0.452932  1
  Al  Al47  1  0.953426  0.704307  0.419426  1
  Al  Al48  1  0.453659  0.203988  0.419350  1
  Al  Al49  1  0.494420  0.495437  0.503490  1
  Al  Al50  1  0.994382  0.995399  0.503483  1
  Al  Al51  1  0.077934  0.578924  0.469880  1
  Al  Al52  1  0.577914  0.078943  0.469880  1
  Al  Al53  1  0.160877  0.161901  0.537174  1
  Al  Al54  1  0.827905  0.828914  0.469852  1
  Al  Al55  1  0.744439  0.245432  0.503514  1
  Al  Al56  1  0.244416  0.745456  0.503514  1
  Al  Al57  1  0.452635  0.203739  0.520329  1
  Al  Al58  1  0.952639  0.703635  0.520321  1
  Al  Al59  1  0.036149  0.287202  0.486697  1
  Al  Al60  1  0.536123  0.787151  0.486698  1
  Al  Al61  1  0.202718  0.453655  0.520329  1
  Al  Al62  1  0.702615  0.953659  0.520321  1
  Al  Al63  1  0.786138  0.537136  0.486698  1
  Al  Al64  1  0.286189  0.037162  0.486697  1
  Al  Al65  1  0.327313  0.328344  0.570808  1
  Al  Al66  1  0.827384  0.828414  0.570786  1
  Al  Al67  1  0.910971  0.411804  0.537248  1
  Al  Al68  1  0.410783  0.911993  0.537248  1
  Al  Al69  1  0.993573  0.994604  0.604886  1
  Al  Al70  1  0.660896  0.661917  0.537237  1
  Al  Al71  1  0.577216  0.078363  0.570781  1
  Al  Al72  1  0.077332  0.578246  0.570781  1
  Al  Al73  1  0.284714  0.036921  0.587819  1
  Al  Al74  1  0.785643  0.536236  0.587815  1
  Al  Al75  1  0.869195  0.120062  0.554071  1
  Al  Al76  1  0.369169  0.620178  0.554070  1
  Al  Al77  1  0.035888  0.285747  0.587820  1
  Al  Al78  1  0.535207  0.786672  0.587815  1
  Al  Al79  1  0.619152  0.370194  0.554071  1
  Al  Al80  1  0.119037  0.870220  0.554071  1
  Al  Al81  1  0.158605  0.159642  0.638965  1
  Al  Al82  1  0.658965  0.659993  0.638229  1
  Al  Al83  1  0.743565  0.244301  0.604686  1
  Al  Al84  1  0.243267  0.744599  0.604686  1
  Al  Al85  1  0.826920  0.827975  0.670265  1
  Al  Al86  1  0.493464  0.494498  0.604723  1
  Al  Al87  1  0.407257  0.912536  0.638131  1
  Al  Al88  1  0.911495  0.408300  0.638134  1
  Al  Al89  1  0.117774  0.868311  0.655234  1
  Al  Al90  1  0.617632  0.367643  0.654817  1
  Al  Al91  1  0.701330  0.952333  0.621205  1
  Al  Al92  1  0.201203  0.451977  0.621129  1
  Al  Al93  1  0.867273  0.118810  0.655232  1
  Al  Al94  1  0.366600  0.618671  0.654817  1
  Al  Al95  1  0.450932  0.202248  0.621129  1
  Al  Al96  1  0.951293  0.702373  0.621205  1
  Al  Al97  1  0.993628  0.994682  0.703458  1
  Al  Al98  1  0.493900  0.494940  0.701948  1
  Al  Al99  1  0.578880  0.079398  0.670131  1
  Al  Al100  1  0.078339  0.579942  0.670132  1
  Al  Al101  1  0.658764  0.659940  0.730772  1
  Al  Al102  1  0.326188  0.327249  0.669735  1
  Al  Al103  1  0.252450  0.748026  0.704117  1
  Al  Al104  1  0.746974  0.253461  0.704112  1
  Al  Al105  1  0.953346  0.701611  0.717320  1
  Al  Al106  1  0.455832  0.205810  0.717316  1
  Al  Al107  1  0.534692  0.790804  0.685598  1
  Al  Al108  1  0.036695  0.289027  0.688255  1
  Al  Al109  1  0.700481  0.954425  0.717319  1
  Al  Al110  1  0.204710  0.456950  0.717317  1
  Al  Al111  1  0.288002  0.037719  0.688255  1
  Al  Al112  1  0.789763  0.535732  0.685608  1
