# generated using pymatgen
data_Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.93191952
_cell_length_b   8.93226043
_cell_length_c   49.57169570
_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   3875.03447073
_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  0.909276  0.910008  0.334835  1
  Al  Al2  1  0.578721  0.579444  0.269545  1
  Al  Al3  1  0.496112  0.993582  0.301242  1
  Al  Al4  1  0.992847  0.496845  0.301242  1
  Al  Al5  1  0.742740  0.743476  0.300995  1
  Al  Al6  1  0.236258  0.236993  0.298573  1
  Al  Al7  1  0.327980  0.832117  0.270096  1
  Al  Al8  1  0.831395  0.328703  0.270096  1
  Al  Al9  1  0.035085  0.788549  0.284761  1
  Al  Al10  1  0.534050  0.284655  0.284318  1
  Al  Al11  1  0.450570  0.700553  0.318811  1
  Al  Al12  1  0.952052  0.199365  0.318235  1
  Al  Al13  1  0.787823  0.035816  0.284761  1
  Al  Al14  1  0.283925  0.534780  0.284318  1
  Al  Al15  1  0.198633  0.952784  0.318234  1
  Al  Al16  1  0.699822  0.451301  0.318811  1
  Al  Al17  1  0.743096  0.743831  0.401154  1
  Al  Al18  1  0.407444  0.408177  0.333821  1
  Al  Al19  1  0.326194  0.828424  0.367838  1
  Al  Al20  1  0.827691  0.326928  0.367839  1
  Al  Al21  1  0.576250  0.576983  0.368061  1
  Al  Al22  1  0.076912  0.077644  0.368145  1
  Al  Al23  1  0.160471  0.660366  0.334542  1
  Al  Al24  1  0.659633  0.161204  0.334542  1
  Al  Al25  1  0.868546  0.619008  0.351002  1
  Al  Al26  1  0.367541  0.119772  0.350505  1
  Al  Al27  1  0.284815  0.535225  0.384385  1
  Al  Al28  1  0.784644  0.035756  0.384567  1
  Al  Al29  1  0.618274  0.869280  0.351002  1
  Al  Al30  1  0.119038  0.368274  0.350505  1
  Al  Al31  1  0.035022  0.785378  0.384567  1
  Al  Al32  1  0.534491  0.285549  0.384385  1
  Al  Al33  1  0.576114  0.576851  0.467962  1
  Al  Al34  1  0.243242  0.243977  0.401065  1
  Al  Al35  1  0.159629  0.660206  0.434571  1
  Al  Al36  1  0.659470  0.160364  0.434571  1
  Al  Al37  1  0.409595  0.410331  0.434556  1
  Al  Al38  1  0.909575  0.910311  0.434603  1
  Al  Al39  1  0.993400  0.493605  0.401048  1
  Al  Al40  1  0.492870  0.994135  0.401048  1
  Al  Al41  1  0.701488  0.451932  0.417888  1
  Al  Al42  1  0.201485  0.952115  0.417964  1
  Al  Al43  1  0.117910  0.368598  0.451253  1
  Al  Al44  1  0.617788  0.868635  0.451247  1
  Al  Al45  1  0.451197  0.702223  0.417888  1
  Al  Al46  1  0.951380  0.202220  0.417964  1
  Al  Al47  1  0.867899  0.618524  0.451247  1
  Al  Al48  1  0.367862  0.118646  0.451253  1
  Al  Al49  1  0.409081  0.409820  0.534765  1
  Al  Al50  1  0.076121  0.076858  0.467998  1
  Al  Al51  1  0.992632  0.493335  0.501377  1
  Al  Al52  1  0.492598  0.993369  0.501377  1
  Al  Al53  1  0.242610  0.243348  0.501376  1
  Al  Al54  1  0.742611  0.743348  0.501368  1
  Al  Al55  1  0.826096  0.326862  0.467990  1
  Al  Al56  1  0.326126  0.826833  0.467990  1
  Al  Al57  1  0.534339  0.285094  0.484672  1
  Al  Al58  1  0.034350  0.785054  0.484680  1
  Al  Al59  1  0.950857  0.201594  0.518073  1
  Al  Al60  1  0.450870  0.701595  0.518062  1
  Al  Al61  1  0.284357  0.535076  0.484672  1
  Al  Al62  1  0.784318  0.035087  0.484680  1
  Al  Al63  1  0.700857  0.451608  0.518062  1
  Al  Al64  1  0.200856  0.951595  0.518073  1
  Al  Al65  1  0.242206  0.242946  0.601781  1
  Al  Al66  1  0.909101  0.909839  0.534787  1
  Al  Al67  1  0.825607  0.326336  0.568130  1
  Al  Al68  1  0.325596  0.826347  0.568130  1
  Al  Al69  1  0.075659  0.076399  0.568157  1
  Al  Al70  1  0.575611  0.576350  0.568120  1
  Al  Al71  1  0.659053  0.159855  0.534786  1
  Al  Al72  1  0.159117  0.659791  0.534786  1
  Al  Al73  1  0.367305  0.118159  0.551507  1
  Al  Al74  1  0.867412  0.618097  0.551488  1
  Al  Al75  1  0.783744  0.034656  0.584895  1
  Al  Al76  1  0.284020  0.534206  0.584894  1
  Al  Al77  1  0.117421  0.368043  0.551507  1
  Al  Al78  1  0.617359  0.868150  0.551488  1
  Al  Al79  1  0.533466  0.284760  0.584894  1
  Al  Al80  1  0.033917  0.784483  0.584895  1
  Al  Al81  1  0.076649  0.077392  0.667985  1
  Al  Al82  1  0.742159  0.742900  0.601605  1
  Al  Al83  1  0.657323  0.160736  0.634893  1
  Al  Al84  1  0.159995  0.658064  0.634893  1
  Al  Al85  1  0.908555  0.909295  0.634935  1
  Al  Al86  1  0.407971  0.408712  0.635394  1
  Al  Al87  1  0.491946  0.993094  0.601631  1
  Al  Al88  1  0.992354  0.492686  0.601631  1
  Al  Al89  1  0.200427  0.951207  0.618175  1
  Al  Al90  1  0.700182  0.450952  0.618070  1
  Al  Al91  1  0.616408  0.868339  0.651678  1
  Al  Al92  1  0.117249  0.368099  0.652202  1
  Al  Al93  1  0.950467  0.201168  0.618175  1
  Al  Al94  1  0.450211  0.700924  0.618070  1
  Al  Al95  1  0.367358  0.117990  0.652202  1
  Al  Al96  1  0.867598  0.617149  0.651678  1
  Al  Al97  1  0.904691  0.905444  0.731719  1
  Al  Al98  1  0.574927  0.575670  0.667455  1
  Al  Al99  1  0.498176  0.994361  0.702970  1
  Al  Al100  1  0.993618  0.498916  0.702970  1
  Al  Al101  1  0.739602  0.740343  0.700709  1
  Al  Al102  1  0.242544  0.243287  0.702418  1
  Al  Al103  1  0.327512  0.828131  0.667891  1
  Al  Al104  1  0.827387  0.328256  0.667891  1
  Al  Al105  1  0.036919  0.783800  0.683873  1
  Al  Al106  1  0.534394  0.284896  0.685621  1
  Al  Al107  1  0.448318  0.699226  0.717171  1
  Al  Al108  1  0.947162  0.200463  0.717250  1
  Al  Al109  1  0.783059  0.037660  0.683872  1
  Al  Al110  1  0.284156  0.535134  0.685621  1
  Al  Al111  1  0.199717  0.947913  0.717250  1
  Al  Al112  1  0.698476  0.449067  0.717171  1
