# generated using pymatgen
data_Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.64317841
_cell_length_b   12.67006154
_cell_length_c   50.21763257
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   102.92096638
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al
_chemical_formula_sum   Al96
_cell_volume   3499.61720363
_cell_formula_units_Z   96
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  0.348247  0.685973  0.331225  1
  Al  Al2  1  0.035105  0.054204  0.293530  1
  Al  Al3  1  0.195781  0.372028  0.311558  1
  Al  Al4  1  0.185235  0.869571  0.311790  1
  Al  Al5  1  0.876951  0.239775  0.277979  1
  Al  Al6  1  0.030059  0.554510  0.293506  1
  Al  Al7  1  0.695781  0.872028  0.311558  1
  Al  Al8  1  0.848247  0.185973  0.331225  1
  Al  Al9  1  0.535105  0.554204  0.293530  1
  Al  Al10  1  0.376951  0.739775  0.277979  1
  Al  Al11  1  0.530059  0.054510  0.293506  1
  Al  Al12  1  0.685235  0.369571  0.311790  1
  Al  Al13  1  0.823422  0.635491  0.385664  1
  Al  Al14  1  0.506021  1.002302  0.348788  1
  Al  Al15  1  0.664585  0.319284  0.367386  1
  Al  Al16  1  0.665088  0.819476  0.367292  1
  Al  Al17  1  0.348048  0.187251  0.329513  1
  Al  Al18  1  0.507284  0.503932  0.349399  1
  Al  Al19  1  0.164585  0.819284  0.367386  1
  Al  Al20  1  0.323422  0.135491  0.385664  1
  Al  Al21  1  1.006021  0.502302  0.348788  1
  Al  Al22  1  0.848048  0.687251  0.329513  1
  Al  Al23  1  0.007284  0.003932  0.349399  1
  Al  Al24  1  0.165088  0.319476  0.367292  1
  Al  Al25  1  0.296274  0.582254  0.441733  1
  Al  Al26  1  0.980690  0.950828  0.404652  1
  Al  Al27  1  0.138589  0.266534  0.423037  1
  Al  Al28  1  0.138349  0.766584  0.423112  1
  Al  Al29  1  0.822175  0.135007  0.386201  1
  Al  Al30  1  0.980432  0.450750  0.404498  1
  Al  Al31  1  0.638589  0.766534  0.423037  1
  Al  Al32  1  0.796274  0.082254  0.441733  1
  Al  Al33  1  0.480690  0.450828  0.404652  1
  Al  Al34  1  0.322175  0.635007  0.386201  1
  Al  Al35  1  0.480432  0.950750  0.404498  1
  Al  Al36  1  0.638349  0.266584  0.423112  1
  Al  Al37  1  0.770038  0.529520  0.497302  1
  Al  Al38  1  0.454235  0.898003  0.460203  1
  Al  Al39  1  0.612075  0.213762  0.478797  1
  Al  Al40  1  0.612142  0.713762  0.478758  1
  Al  Al41  1  0.296464  0.082386  0.441569  1
  Al  Al42  1  0.454207  0.398020  0.460263  1
  Al  Al43  1  0.112075  0.713762  0.478797  1
  Al  Al44  1  0.270038  0.029520  0.497302  1
  Al  Al45  1  0.954235  0.398003  0.460203  1
  Al  Al46  1  0.796464  0.582386  0.441569  1
  Al  Al47  1  0.954207  0.898020  0.460263  1
  Al  Al48  1  0.112142  0.213762  0.478758  1
  Al  Al49  1  0.243505  0.476599  0.553126  1
  Al  Al50  1  0.927827  0.845223  0.515938  1
  Al  Al51  1  0.085762  0.160965  0.534432  1
  Al  Al52  1  0.085734  0.660982  0.534492  1
  Al  Al53  1  0.769931  0.029465  0.497393  1
  Al  Al54  1  0.927894  0.345224  0.515899  1
  Al  Al55  1  0.585762  0.660965  0.534432  1
  Al  Al56  1  0.743505  0.976599  0.553126  1
  Al  Al57  1  0.427827  0.345223  0.515938  1
  Al  Al58  1  0.269931  0.529465  0.497393  1
  Al  Al59  1  0.427894  0.845224  0.515899  1
  Al  Al60  1  0.585734  0.160982  0.534492  1
  Al  Al61  1  0.717794  0.423979  0.608494  1
  Al  Al62  1  0.401620  0.792402  0.571583  1
  Al  Al63  1  0.559537  0.108235  0.590198  1
  Al  Al64  1  0.559279  0.608157  0.590044  1
  Al  Al65  1  0.243695  0.976732  0.552963  1
  Al  Al66  1  0.401380  0.292452  0.571658  1
  Al  Al67  1  0.059537  0.608235  0.590198  1
  Al  Al68  1  0.217794  0.923979  0.608494  1
  Al  Al69  1  0.901620  0.292402  0.571583  1
  Al  Al70  1  0.743695  0.476732  0.552963  1
  Al  Al71  1  0.901380  0.792452  0.571658  1
  Al  Al72  1  0.059279  0.108157  0.590044  1
  Al  Al73  1  0.191921  0.371734  0.665182  1
  Al  Al74  1  0.874881  0.739510  0.627403  1
  Al  Al75  1  0.032685  0.055053  0.645296  1
  Al  Al76  1  0.033948  0.556684  0.645907  1
  Al  Al77  1  0.716547  0.923494  0.609032  1
  Al  Al78  1  0.875384  0.239701  0.627309  1
  Al  Al79  1  0.532685  0.555053  0.645296  1
  Al  Al80  1  0.691921  0.871734  0.665182  1
  Al  Al81  1  0.374881  0.239510  0.627403  1
  Al  Al82  1  0.216547  0.423494  0.609032  1
  Al  Al83  1  0.375384  0.739701  0.627309  1
  Al  Al84  1  0.533948  0.056684  0.645907  1
  Al  Al85  1  0.663018  0.319210  0.716717  1
  Al  Al86  1  0.354734  0.689414  0.682906  1
  Al  Al87  1  0.509910  0.004475  0.701190  1
  Al  Al88  1  0.504864  0.504782  0.701165  1
  Al  Al89  1  0.191722  0.873012  0.663470  1
  Al  Al90  1  0.344188  0.186958  0.683137  1
  Al  Al91  1  0.009910  0.504475  0.701190  1
  Al  Al92  1  0.163018  0.819210  0.716717  1
  Al  Al93  1  0.854734  0.189414  0.682906  1
  Al  Al94  1  0.691722  0.373012  0.663470  1
  Al  Al95  1  0.844188  0.686958  0.683137  1
  Al  Al96  1  1.004864  0.004782  0.701165  1
