# generated using pymatgen
data_Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.10739806
_cell_length_b   9.09601889
_cell_length_c   44.24391772
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   84.26082953
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al
_chemical_formula_sum   Al126
_cell_volume   4848.11985553
_cell_formula_units_Z   126
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  0.817993  0.420480  0.369019  1
  Al  Al2  1  0.152897  0.087904  0.369852  1
  Al  Al3  1  0.186517  0.485364  0.331882  1
  Al  Al4  1  0.485690  0.754799  0.370024  1
  Al  Al5  1  0.517745  0.148917  0.332643  1
  Al  Al6  1  0.501585  0.449207  0.350369  1
  Al  Al7  1  0.852615  0.819489  0.332097  1
  Al  Al8  1  0.832194  0.118320  0.350146  1
  Al  Al9  1  0.166346  0.783271  0.350160  1
  Al  Al10  1  0.644445  0.238698  0.379838  1
  Al  Al11  1  0.026084  1.000008  0.323038  1
  Al  Al12  1  0.011473  0.299461  0.340967  1
  Al  Al13  1  0.360409  0.665718  0.323119  1
  Al  Al14  1  0.342530  0.966265  0.340782  1
  Al  Al15  1  0.325323  0.269664  0.359532  1
  Al  Al16  1  0.675183  0.635582  0.341329  1
  Al  Al17  1  0.658675  0.934022  0.359945  1
  Al  Al18  1  -0.008075  0.602490  0.359395  1
  Al  Al19  1  0.770671  0.325364  0.429635  1
  Al  Al20  1  0.103837  0.992067  0.429881  1
  Al  Al21  1  0.135377  0.389076  0.389875  1
  Al  Al22  1  0.437233  0.658392  0.429976  1
  Al  Al23  1  0.468492  1.055304  0.390137  1
  Al  Al24  1  0.453025  0.355753  0.409480  1
  Al  Al25  1  0.802371  0.721751  0.389986  1
  Al  Al26  1  0.785823  1.023030  0.409449  1
  Al  Al27  1  0.119074  0.689078  0.409499  1
  Al  Al28  1  0.595891  0.142945  0.439968  1
  Al  Al29  1  -0.023142  0.905363  0.380342  1
  Al  Al30  1  -0.039530  0.205615  0.399195  1
  Al  Al31  1  0.311275  0.570600  0.380361  1
  Al  Al32  1  0.294043  0.871647  0.399490  1
  Al  Al33  1  0.278338  0.174477  0.419740  1
  Al  Al34  1  0.627685  0.539243  0.399846  1
  Al  Al35  1  0.611852  0.840881  0.419841  1
  Al  Al36  1  -0.055642  0.506804  0.419321  1
  Al  Al37  1  0.721904  0.229995  0.490713  1
  Al  Al38  1  0.055124  0.896608  0.490756  1
  Al  Al39  1  0.087106  0.293271  0.450131  1
  Al  Al40  1  0.388540  0.563187  0.490817  1
  Al  Al41  1  0.420653  0.959897  0.450288  1
  Al  Al42  1  0.404711  0.261527  0.470489  1
  Al  Al43  1  0.754183  0.626358  0.450272  1
  Al  Al44  1  0.737922  0.928342  0.470484  1
  Al  Al45  1  0.071033  0.594621  0.470425  1
  Al  Al46  1  0.547160  1.047419  0.500900  1
  Al  Al47  1  -0.071194  0.808881  0.440200  1
  Al  Al48  1  0.912535  0.110859  0.460208  1
  Al  Al49  1  0.262247  0.475618  0.440225  1
  Al  Al50  1  0.245846  0.777299  0.460333  1
  Al  Al51  1  0.229824  0.079181  0.480628  1
  Al  Al52  1  0.579400  0.443889  0.460332  1
  Al  Al53  1  0.563260  0.745660  0.480680  1
  Al  Al54  1  0.896499  0.412365  0.480554  1
  Al  Al55  1  0.673509  0.134648  0.551619  1
  Al  Al56  1  0.006771  0.801328  0.551582  1
  Al  Al57  1  0.038938  0.198103  0.511033  1
  Al  Al58  1  0.340181  0.467885  0.551636  1
  Al  Al59  1  0.372334  0.864765  0.511071  1
  Al  Al60  1  0.356253  0.166367  0.531357  1
  Al  Al61  1  0.705690  0.531337  0.511091  1
  Al  Al62  1  0.689597  0.833040  0.531360  1
  Al  Al63  1  0.022840  0.499593  0.531336  1
  Al  Al64  1  0.498769  0.952107  0.561734  1
  Al  Al65  1  0.880386  0.713924  0.500959  1
  Al  Al66  1  0.864289  1.015631  0.521168  1
  Al  Al67  1  0.213685  0.380572  0.500940  1
  Al  Al68  1  0.197577  0.682172  0.521173  1
  Al  Al69  1  0.181509  0.983873  0.541477  1
  Al  Al70  1  0.531016  0.348860  0.521223  1
  Al  Al71  1  0.514916  0.650441  0.541532  1
  Al  Al72  1  0.848154  0.317084  0.541486  1
  Al  Al73  1  0.625103  1.039581  0.612450  1
  Al  Al74  1  -0.041764  0.706299  0.612313  1
  Al  Al75  1  -0.009424  0.102771  0.571934  1
  Al  Al76  1  0.291971  0.372706  0.612442  1
  Al  Al77  1  0.324003  0.769491  0.571877  1
  Al  Al78  1  0.307920  0.071352  0.592267  1
  Al  Al79  1  0.657328  0.436014  0.571984  1
  Al  Al80  1  0.641404  0.737883  0.592272  1
  Al  Al81  1  -0.025607  0.404314  0.592209  1
  Al  Al82  1  0.450216  0.857182  0.622455  1
  Al  Al83  1  0.831973  0.618603  0.561780  1
  Al  Al84  1  0.815943  0.920453  0.582076  1
  Al  Al85  1  0.165327  0.285269  0.561798  1
  Al  Al86  1  0.149258  0.586962  0.581992  1
  Al  Al87  1  0.133168  0.888855  0.602310  1
  Al  Al88  1  0.482689  0.253581  0.582114  1
  Al  Al89  1  0.466718  0.555208  0.602420  1
  Al  Al90  1  0.799839  0.221958  0.602428  1
  Al  Al91  1  0.576541  0.943923  0.672566  1
  Al  Al92  1  0.910140  0.611089  0.672348  1
  Al  Al93  1  -0.058021  1.007591  0.632962  1
  Al  Al94  1  0.243813  0.277065  0.672455  1
  Al  Al95  1  0.275443  0.674206  0.632674  1
  Al  Al96  1  0.259546  0.977062  0.653213  1
  Al  Al97  1  0.608679  0.340572  0.633018  1
  Al  Al98  1  0.593419  0.643137  0.653227  1
  Al  Al99  1  -0.073804  0.309891  0.653234  1
  Al  Al100  1  0.401618  0.761225  0.682293  1
  Al  Al101  1  0.783253  0.523200  0.622724  1
  Al  Al102  1  0.767972  0.826067  0.643163  1
  Al  Al103  1  0.116492  0.189767  0.622717  1
  Al  Al104  1  0.100659  0.491719  0.642739  1
  Al  Al105  1  0.084962  0.793593  0.662696  1
  Al  Al106  1  0.434785  0.159119  0.643247  1
  Al  Al107  1  0.418876  0.460560  0.663323  1
  Al  Al108  1  0.751812  0.126289  0.662939  1
  Al  Al109  1  0.525967  0.846182  0.730514  1
  Al  Al110  1  0.861307  0.516170  0.729784  1
  Al  Al111  1  0.895028  0.912270  0.693384  1
  Al  Al112  1  0.194265  0.183220  0.729993  1
  Al  Al113  1  0.226841  0.578238  0.692475  1
  Al  Al114  1  0.210946  0.883337  0.712205  1
  Al  Al115  1  0.561158  0.245871  0.693500  1
  Al  Al116  1  0.546775  0.547865  0.712420  1
  Al  Al117  1  0.878307  0.215622  0.712115  1
  Al  Al118  1  0.352373  0.666519  0.739369  1
  Al  Al119  1  0.734922  0.426549  0.682864  1
  Al  Al120  1  0.720602  0.732120  0.702680  1
  Al  Al121  1  0.067407  0.094374  0.682898  1
  Al  Al122  1  0.054090  0.398482  0.702557  1
  Al  Al123  1  0.037087  0.696921  0.721152  1
  Al  Al124  1  0.387348  0.063145  0.703094  1
  Al  Al125  1  0.367492  0.366539  0.721502  1
  Al  Al126  1  0.701338  1.030381  0.720948  1
