# generated using pymatgen
data_Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.97912613
_cell_length_b   8.97492315
_cell_length_c   49.85514155
_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   3936.50113364
_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  0.775254  0.026599  0.288526  1
  Al  Al2  1  0.275254  0.526599  0.288526  1
  Al  Al3  1  0.192175  0.943545  0.323056  1
  Al  Al4  1  0.692175  0.443545  0.323056  1
  Al  Al5  1  0.025254  0.776599  0.288526  1
  Al  Al6  1  0.525254  0.276599  0.288526  1
  Al  Al7  1  0.442175  0.693545  0.323056  1
  Al  Al8  1  0.942175  0.193545  0.323056  1
  Al  Al9  1  0.734162  0.735479  0.304349  1
  Al  Al10  1  0.234162  0.235479  0.304349  1
  Al  Al11  1  0.317036  0.818476  0.275311  1
  Al  Al12  1  0.817036  0.318476  0.275311  1
  Al  Al13  1  0.067036  0.068476  0.275311  1
  Al  Al14  1  0.567036  0.568476  0.275311  1
  Al  Al15  1  0.484162  0.985479  0.304349  1
  Al  Al16  1  0.984162  0.485479  0.304349  1
  Al  Al17  1  0.609687  0.860968  0.354776  1
  Al  Al18  1  0.109687  0.360968  0.354776  1
  Al  Al19  1  0.025449  0.776708  0.388580  1
  Al  Al20  1  0.525449  0.276708  0.388580  1
  Al  Al21  1  0.859687  0.610968  0.354776  1
  Al  Al22  1  0.359687  0.110968  0.354776  1
  Al  Al23  1  0.275449  0.526708  0.388580  1
  Al  Al24  1  0.775449  0.026708  0.388580  1
  Al  Al25  1  0.567702  0.568991  0.372378  1
  Al  Al26  1  0.067702  0.068991  0.372378  1
  Al  Al27  1  0.150922  0.652237  0.338303  1
  Al  Al28  1  0.650922  0.152237  0.338303  1
  Al  Al29  1  0.900922  0.902237  0.338303  1
  Al  Al30  1  0.400922  0.402237  0.338303  1
  Al  Al31  1  0.317702  0.818991  0.372378  1
  Al  Al32  1  0.817702  0.318991  0.372378  1
  Al  Al33  1  0.441852  0.693039  0.422299  1
  Al  Al34  1  0.941852  0.193039  0.422299  1
  Al  Al35  1  0.858092  0.609271  0.455564  1
  Al  Al36  1  0.358092  0.109271  0.455564  1
  Al  Al37  1  0.691852  0.443039  0.422299  1
  Al  Al38  1  0.191852  0.943039  0.422299  1
  Al  Al39  1  0.108092  0.359271  0.455564  1
  Al  Al40  1  0.608092  0.859271  0.455564  1
  Al  Al41  1  0.399890  0.401083  0.438848  1
  Al  Al42  1  0.899890  0.901083  0.438848  1
  Al  Al43  1  0.983880  0.485077  0.405275  1
  Al  Al44  1  0.483880  0.985077  0.405275  1
  Al  Al45  1  0.733880  0.735077  0.405275  1
  Al  Al46  1  0.233880  0.235077  0.405275  1
  Al  Al47  1  0.149890  0.651083  0.438848  1
  Al  Al48  1  0.649890  0.151083  0.438848  1
  Al  Al49  1  0.274272  0.525400  0.489064  1
  Al  Al50  1  0.774272  0.025400  0.489064  1
  Al  Al51  1  0.690517  0.441619  0.522484  1
  Al  Al52  1  0.190517  0.941619  0.522484  1
  Al  Al53  1  0.524272  0.275400  0.489064  1
  Al  Al54  1  0.024272  0.775400  0.489064  1
  Al  Al55  1  0.940517  0.191619  0.522484  1
  Al  Al56  1  0.440517  0.691619  0.522484  1
  Al  Al57  1  0.232430  0.233567  0.505787  1
  Al  Al58  1  0.732430  0.733567  0.505787  1
  Al  Al59  1  0.816185  0.317348  0.472367  1
  Al  Al60  1  0.316185  0.817348  0.472367  1
  Al  Al61  1  0.566185  0.567348  0.472367  1
  Al  Al62  1  0.066185  0.067348  0.472367  1
  Al  Al63  1  0.982430  0.483567  0.505787  1
  Al  Al64  1  0.482430  0.983567  0.505787  1
  Al  Al65  1  0.106812  0.357884  0.556003  1
  Al  Al66  1  0.606812  0.857884  0.556003  1
  Al  Al67  1  0.522822  0.273889  0.589576  1
  Al  Al68  1  0.022822  0.773889  0.589576  1
  Al  Al69  1  0.356812  0.107884  0.556003  1
  Al  Al70  1  0.856812  0.607884  0.556003  1
  Al  Al71  1  0.772822  0.023889  0.589576  1
  Al  Al72  1  0.272822  0.523889  0.589576  1
  Al  Al73  1  0.064850  0.065927  0.572552  1
  Al  Al74  1  0.564850  0.565927  0.572552  1
  Al  Al75  1  0.648609  0.149695  0.539287  1
  Al  Al76  1  0.148609  0.649695  0.539287  1
  Al  Al77  1  0.398609  0.399695  0.539287  1
  Al  Al78  1  0.898609  0.899695  0.539287  1
  Al  Al79  1  0.814850  0.315927  0.572552  1
  Al  Al80  1  0.314850  0.815927  0.572552  1
  Al  Al81  1  0.939000  0.189976  0.622473  1
  Al  Al82  1  0.439000  0.689976  0.622473  1
  Al  Al83  1  0.355780  0.106729  0.656548  1
  Al  Al84  1  0.855780  0.606729  0.656548  1
  Al  Al85  1  0.189000  0.939976  0.622473  1
  Al  Al86  1  0.689000  0.439976  0.622473  1
  Al  Al87  1  0.605780  0.856729  0.656548  1
  Al  Al88  1  0.105780  0.356729  0.656548  1
  Al  Al89  1  0.897015  0.897998  0.640075  1
  Al  Al90  1  0.397015  0.397998  0.640075  1
  Al  Al91  1  0.481253  0.982258  0.606271  1
  Al  Al92  1  0.981253  0.482258  0.606271  1
  Al  Al93  1  0.231253  0.232258  0.606271  1
  Al  Al94  1  0.731253  0.732258  0.606271  1
  Al  Al95  1  0.647015  0.147998  0.640075  1
  Al  Al96  1  0.147015  0.647998  0.640075  1
  Al  Al97  1  0.772540  0.023488  0.690503  1
  Al  Al98  1  0.272540  0.523488  0.690503  1
  Al  Al99  1  0.189666  0.940491  0.719540  1
  Al  Al100  1  0.689666  0.440491  0.719540  1
  Al  Al101  1  0.022540  0.773488  0.690503  1
  Al  Al102  1  0.522540  0.273488  0.690503  1
  Al  Al103  1  0.439666  0.690491  0.719540  1
  Al  Al104  1  0.939666  0.190491  0.719540  1
  Al  Al105  1  0.731448  0.732367  0.706326  1
  Al  Al106  1  0.231448  0.232367  0.706326  1
  Al  Al107  1  0.314527  0.815421  0.671795  1
  Al  Al108  1  0.814527  0.315421  0.671795  1
  Al  Al109  1  0.064527  0.065421  0.671795  1
  Al  Al110  1  0.564527  0.565421  0.671795  1
  Al  Al111  1  0.481448  0.982367  0.706326  1
  Al  Al112  1  0.981448  0.482367  0.706326  1
