# generated using pymatgen
data_Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.58304592
_cell_length_b   8.58278407
_cell_length_c   47.67712566
_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   3441.24270738
_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  0.661888  0.662726  0.334154  1
  Al  Al2  1  0.327096  0.327943  0.270017  1
  Al  Al3  1  0.246934  0.746279  0.300306  1
  Al  Al4  1  0.745441  0.247772  0.300306  1
  Al  Al5  1  0.993149  0.993986  0.299673  1
  Al  Al6  1  0.495634  0.496471  0.300133  1
  Al  Al7  1  0.575551  0.080065  0.270282  1
  Al  Al8  1  0.079219  0.576399  0.270282  1
  Al  Al9  1  0.706084  0.953045  0.317313  1
  Al  Al10  1  0.203902  0.454524  0.318453  1
  Al  Al11  1  0.285151  0.036800  0.284880  1
  Al  Al12  1  0.787195  0.539592  0.284918  1
  Al  Al13  1  0.952206  0.706923  0.317313  1
  Al  Al14  1  0.453683  0.204742  0.318453  1
  Al  Al15  1  0.538748  0.788036  0.284918  1
  Al  Al16  1  0.035959  0.285992  0.284880  1
  Al  Al17  1  0.494716  0.495547  0.400824  1
  Al  Al18  1  0.160857  0.161695  0.333902  1
  Al  Al19  1  0.077950  0.580381  0.367495  1
  Al  Al20  1  0.579546  0.078785  0.367494  1
  Al  Al21  1  0.828693  0.829528  0.367458  1
  Al  Al22  1  0.328532  0.329367  0.367804  1
  Al  Al23  1  0.412400  0.912851  0.334043  1
  Al  Al24  1  0.912013  0.413237  0.334043  1
  Al  Al25  1  0.536535  0.787318  0.384142  1
  Al  Al26  1  0.036261  0.287248  0.384035  1
  Al  Al27  1  0.120180  0.871247  0.350165  1
  Al  Al28  1  0.620738  0.371588  0.350468  1
  Al  Al29  1  0.786485  0.537369  0.384142  1
  Al  Al30  1  0.286415  0.037094  0.384035  1
  Al  Al31  1  0.370753  0.621573  0.350468  1
  Al  Al32  1  0.870412  0.121015  0.350165  1
  Al  Al33  1  0.326659  0.327484  0.467718  1
  Al  Al34  1  0.994594  0.995425  0.400647  1
  Al  Al35  1  0.910581  0.411392  0.434257  1
  Al  Al36  1  0.410563  0.911410  0.434257  1
  Al  Al37  1  0.660636  0.661465  0.434301  1
  Al  Al38  1  0.160556  0.161385  0.434210  1
  Al  Al39  1  0.244500  0.745546  0.400729  1
  Al  Al40  1  0.744715  0.245331  0.400729  1
  Al  Al41  1  0.368627  0.619542  0.450994  1
  Al  Al42  1  0.868718  0.119451  0.450957  1
  Al  Al43  1  0.952587  0.703577  0.417596  1
  Al  Al44  1  0.452771  0.203283  0.417613  1
  Al  Al45  1  0.618715  0.369454  0.450994  1
  Al  Al46  1  0.118624  0.869545  0.450957  1
  Al  Al47  1  0.202453  0.453601  0.417613  1
  Al  Al48  1  0.702746  0.953418  0.417596  1
  Al  Al49  1  0.158727  0.159546  0.534606  1
  Al  Al50  1  0.826714  0.827540  0.467745  1
  Al  Al51  1  0.742783  0.243507  0.501169  1
  Al  Al52  1  0.242685  0.743606  0.501169  1
  Al  Al53  1  0.492733  0.493556  0.501166  1
  Al  Al54  1  0.992738  0.993561  0.501174  1
  Al  Al55  1  0.076646  0.577543  0.467732  1
  Al  Al56  1  0.576718  0.077472  0.467732  1
  Al  Al57  1  0.200723  0.451571  0.517866  1
  Al  Al58  1  0.700786  0.951582  0.517903  1
  Al  Al59  1  0.784717  0.535508  0.484450  1
  Al  Al60  1  0.284649  0.035512  0.484419  1
  Al  Al61  1  0.450750  0.201544  0.517866  1
  Al  Al62  1  0.950761  0.701607  0.517903  1
  Al  Al63  1  0.034688  0.285473  0.484419  1
  Al  Al64  1  0.534684  0.785541  0.484450  1
  Al  Al65  1  0.991075  0.991888  0.601720  1
  Al  Al66  1  0.658782  0.659602  0.534619  1
  Al  Al67  1  0.574798  0.075643  0.568020  1
  Al  Al68  1  0.074827  0.575615  0.568020  1
  Al  Al69  1  0.324807  0.325623  0.567973  1
  Al  Al70  1  0.824900  0.825717  0.568068  1
  Al  Al71  1  0.908794  0.409518  0.534611  1
  Al  Al72  1  0.408699  0.909614  0.534611  1
  Al  Al73  1  0.032961  0.283348  0.584826  1
  Al  Al74  1  0.532689  0.783715  0.584780  1
  Al  Al75  1  0.616866  0.367582  0.551337  1
  Al  Al76  1  0.116771  0.867695  0.551392  1
  Al  Al77  1  0.282533  0.033776  0.584826  1
  Al  Al78  1  0.782900  0.533504  0.584780  1
  Al  Al79  1  0.866877  0.117589  0.551392  1
  Al  Al80  1  0.366764  0.617684  0.551337  1
  Al  Al81  1  0.823432  0.824239  0.667876  1
  Al  Al82  1  0.490912  0.491725  0.601492  1
  Al  Al83  1  0.405676  0.908797  0.634965  1
  Al  Al84  1  0.907987  0.406487  0.634964  1
  Al  Al85  1  0.156615  0.157426  0.635443  1
  Al  Al86  1  0.656731  0.657543  0.634894  1
  Al  Al87  1  0.741018  0.241615  0.601585  1
  Al  Al88  1  0.240802  0.741832  0.601585  1
  Al  Al89  1  0.865523  0.116462  0.652057  1
  Al  Al90  1  0.364973  0.615922  0.651732  1
  Al  Al91  1  0.448614  0.199790  0.618028  1
  Al  Al92  1  0.949030  0.699686  0.618113  1
  Al  Al93  1  0.115653  0.866332  0.652057  1
  Al  Al94  1  0.615112  0.365782  0.651732  1
  Al  Al95  1  0.698874  0.949842  0.618113  1
  Al  Al96  1  0.198978  0.449425  0.618028  1
  Al  Al97  1  0.659435  0.660233  0.731010  1
  Al  Al98  1  0.322854  0.323660  0.667763  1
  Al  Al99  1  0.242097  0.741885  0.701799  1
  Al  Al100  1  0.741079  0.242905  0.701799  1
  Al  Al101  1  0.989786  0.990592  0.701526  1
  Al  Al102  1  0.489940  0.490747  0.701344  1
  Al  Al103  1  0.573568  0.075261  0.667790  1
  Al  Al104  1  0.074454  0.574374  0.667790  1
  Al  Al105  1  0.697967  0.950783  0.716502  1
  Al  Al106  1  0.198700  0.450049  0.716420  1
  Al  Al107  1  0.280681  0.032843  0.685995  1
  Al  Al108  1  0.784701  0.529537  0.684320  1
  Al  Al109  1  0.949979  0.698766  0.716502  1
  Al  Al110  1  0.449248  0.199500  0.716420  1
  Al  Al111  1  0.528729  0.785508  0.684321  1
  Al  Al112  1  0.032034  0.281490  0.685995  1
