# generated using pymatgen
data_Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.71489562
_cell_length_b   12.74146324
_cell_length_c   47.45092288
_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   3367.70525102
_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  0.871956  0.740730  0.293032  1
  Al  Al2  1  0.030119  0.057199  0.312865  1
  Al  Al3  1  0.714378  0.425660  0.275166  1
  Al  Al4  1  0.714378  0.925660  0.275166  1
  Al  Al5  1  0.871956  0.240730  0.293032  1
  Al  Al6  1  0.030119  0.557199  0.312865  1
  Al  Al7  1  0.214378  0.925660  0.275166  1
  Al  Al8  1  0.371956  0.240730  0.293032  1
  Al  Al9  1  0.530119  0.557199  0.312865  1
  Al  Al10  1  0.371956  0.740730  0.293032  1
  Al  Al11  1  0.530119  0.057199  0.312865  1
  Al  Al12  1  0.214378  0.425660  0.275166  1
  Al  Al13  1  0.345447  0.688021  0.351941  1
  Al  Al14  1  0.503118  0.003454  0.371568  1
  Al  Al15  1  0.187325  0.371691  0.332314  1
  Al  Al16  1  0.187325  0.871691  0.332314  1
  Al  Al17  1  0.345447  0.188021  0.351941  1
  Al  Al18  1  0.503118  0.503454  0.371568  1
  Al  Al19  1  0.687325  0.871691  0.332314  1
  Al  Al20  1  0.845447  0.188021  0.351941  1
  Al  Al21  1  0.003118  0.503454  0.371568  1
  Al  Al22  1  0.845447  0.688021  0.351941  1
  Al  Al23  1  0.003118  0.003454  0.371568  1
  Al  Al24  1  0.687325  0.371691  0.332314  1
  Al  Al25  1  0.818681  0.634756  0.410882  1
  Al  Al26  1  0.976496  0.950471  0.430549  1
  Al  Al27  1  0.660932  0.319169  0.391280  1
  Al  Al28  1  0.660932  0.819169  0.391280  1
  Al  Al29  1  0.818681  0.134756  0.410882  1
  Al  Al30  1  0.976496  0.450471  0.430549  1
  Al  Al31  1  0.160932  0.819169  0.391280  1
  Al  Al32  1  0.318681  0.134756  0.410882  1
  Al  Al33  1  0.476496  0.450471  0.430549  1
  Al  Al34  1  0.318681  0.634756  0.410882  1
  Al  Al35  1  0.476496  0.950471  0.430549  1
  Al  Al36  1  0.160932  0.319169  0.391280  1
  Al  Al37  1  0.292046  0.581747  0.469843  1
  Al  Al38  1  0.449820  0.897385  0.489489  1
  Al  Al39  1  0.134252  0.266072  0.450194  1
  Al  Al40  1  0.134252  0.766072  0.450194  1
  Al  Al41  1  0.292046  0.081747  0.469843  1
  Al  Al42  1  0.449820  0.397385  0.489489  1
  Al  Al43  1  0.634252  0.766072  0.450194  1
  Al  Al44  1  0.792046  0.081747  0.469843  1
  Al  Al45  1  0.949820  0.397385  0.489489  1
  Al  Al46  1  0.792046  0.581747  0.469843  1
  Al  Al47  1  0.949820  0.897385  0.489489  1
  Al  Al48  1  0.634252  0.266072  0.450194  1
  Al  Al49  1  0.765380  0.528680  0.528787  1
  Al  Al50  1  0.923174  0.844355  0.548437  1
  Al  Al51  1  0.607605  0.213042  0.509142  1
  Al  Al52  1  0.607605  0.713042  0.509142  1
  Al  Al53  1  0.765380  0.028680  0.528787  1
  Al  Al54  1  0.923174  0.344355  0.548437  1
  Al  Al55  1  0.107605  0.713042  0.509142  1
  Al  Al56  1  0.265380  0.028680  0.528787  1
  Al  Al57  1  0.423174  0.344355  0.548437  1
  Al  Al58  1  0.265380  0.528680  0.528787  1
  Al  Al59  1  0.423174  0.844355  0.548437  1
  Al  Al60  1  0.107605  0.213042  0.509142  1
  Al  Al61  1  0.238744  0.475671  0.587749  1
  Al  Al62  1  0.396493  0.791258  0.607351  1
  Al  Al63  1  0.080930  0.159956  0.568081  1
  Al  Al64  1  0.080930  0.659956  0.568081  1
  Al  Al65  1  0.238744  0.975671  0.587749  1
  Al  Al66  1  0.396493  0.291258  0.607351  1
  Al  Al67  1  0.580930  0.659956  0.568081  1
  Al  Al68  1  0.738744  0.975671  0.587749  1
  Al  Al69  1  0.896493  0.291258  0.607351  1
  Al  Al70  1  0.738744  0.475671  0.587749  1
  Al  Al71  1  0.896493  0.791258  0.607351  1
  Al  Al72  1  0.580930  0.159956  0.568081  1
  Al  Al73  1  0.711979  0.422406  0.646689  1
  Al  Al74  1  0.870100  0.738736  0.666316  1
  Al  Al75  1  0.554307  0.106973  0.627063  1
  Al  Al76  1  0.554307  0.606973  0.627063  1
  Al  Al77  1  0.711979  0.922406  0.646689  1
  Al  Al78  1  0.870100  0.238736  0.666316  1
  Al  Al79  1  0.054307  0.606973  0.627063  1
  Al  Al80  1  0.211979  0.922406  0.646689  1
  Al  Al81  1  0.370100  0.238736  0.666316  1
  Al  Al82  1  0.211979  0.422406  0.646689  1
  Al  Al83  1  0.370100  0.738736  0.666316  1
  Al  Al84  1  0.054307  0.106973  0.627063  1
  Al  Al85  1  0.185469  0.369697  0.705598  1
  Al  Al86  1  0.343048  0.684767  0.723464  1
  Al  Al87  1  0.027307  0.053228  0.685765  1
  Al  Al88  1  0.027307  0.553228  0.685765  1
  Al  Al89  1  0.185469  0.869697  0.705598  1
  Al  Al90  1  0.343048  0.184767  0.723464  1
  Al  Al91  1  0.527307  0.553228  0.685765  1
  Al  Al92  1  0.685469  0.869697  0.705598  1
  Al  Al93  1  0.843048  0.184767  0.723464  1
  Al  Al94  1  0.685469  0.369697  0.705598  1
  Al  Al95  1  0.843048  0.684767  0.723464  1
  Al  Al96  1  0.527307  0.053228  0.685765  1
