# generated using pymatgen
data_Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.80845392
_cell_length_b   6.78850484
_cell_length_c   45.27079659
_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   Al64
_cell_volume   2050.10633467
_cell_formula_units_Z   64
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  0.768941  0.771596  0.291844  1
  Al  Al2  1  0.274732  0.276921  0.291844  1
  Al  Al3  1  0.150653  0.648006  0.309477  1
  Al  Al4  1  0.645455  0.153563  0.309441  1
  Al  Al5  1  0.397796  0.400270  0.344145  1
  Al  Al6  1  0.021837  0.024258  0.291428  1
  Al  Al7  1  0.893020  0.400510  0.309477  1
  Al  Al8  1  0.398219  0.894953  0.309441  1
  Al  Al9  1  0.645877  0.648246  0.344145  1
  Al  Al10  1  0.147110  0.149379  0.344264  1
  Al  Al11  1  0.021837  0.524258  0.363574  1
  Al  Al12  1  0.521837  0.024258  0.363548  1
  Al  Al13  1  0.272002  0.274388  0.398582  1
  Al  Al14  1  0.896564  0.899137  0.344264  1
  Al  Al15  1  0.772139  0.273957  0.363733  1
  Al  Al16  1  0.271534  0.774559  0.363733  1
  Al  Al17  1  0.521837  0.524258  0.398766  1
  Al  Al18  1  0.021837  0.024258  0.398747  1
  Al  Al19  1  0.896921  0.399308  0.418438  1
  Al  Al20  1  0.396881  0.899347  0.418435  1
  Al  Al21  1  0.146866  0.149285  0.453338  1
  Al  Al22  1  0.771671  0.774128  0.398582  1
  Al  Al23  1  0.646792  0.149169  0.418435  1
  Al  Al24  1  0.146753  0.649208  0.418438  1
  Al  Al25  1  0.396818  0.399234  0.453347  1
  Al  Al26  1  0.896807  0.899231  0.453338  1
  Al  Al27  1  0.771845  0.274250  0.473154  1
  Al  Al28  1  0.271828  0.774266  0.473154  1
  Al  Al29  1  0.021836  0.024257  0.508040  1
  Al  Al30  1  0.646856  0.649283  0.453347  1
  Al  Al31  1  0.521836  0.024258  0.473159  1
  Al  Al32  1  0.021837  0.524258  0.473160  1
  Al  Al33  1  0.271835  0.274256  0.508041  1
  Al  Al34  1  0.771838  0.774260  0.508041  1
  Al  Al35  1  0.646832  0.149242  0.527862  1
  Al  Al36  1  0.146822  0.649253  0.527862  1
  Al  Al37  1  0.896786  0.899204  0.562752  1
  Al  Al38  1  0.521838  0.524259  0.508042  1
  Al  Al39  1  0.396850  0.899264  0.527862  1
  Al  Al40  1  0.896842  0.399273  0.527862  1
  Al  Al41  1  0.146879  0.149302  0.562744  1
  Al  Al42  1  0.646888  0.649313  0.562752  1
  Al  Al43  1  0.521952  0.024141  0.582599  1
  Al  Al44  1  0.021722  0.524375  0.582599  1
  Al  Al45  1  0.771837  0.774258  0.617667  1
  Al  Al46  1  0.396794  0.399213  0.562744  1
  Al  Al47  1  0.271837  0.774258  0.582514  1
  Al  Al48  1  0.771837  0.274258  0.582511  1
  Al  Al49  1  0.021724  0.024147  0.617408  1
  Al  Al50  1  0.521950  0.524369  0.617408  1
  Al  Al51  1  0.397069  0.898619  0.637224  1
  Al  Al52  1  0.896202  0.399471  0.637218  1
  Al  Al53  1  0.645640  0.647987  0.672175  1
  Al  Al54  1  0.271837  0.274258  0.617495  1
  Al  Al55  1  0.146605  0.649898  0.637224  1
  Al  Al56  1  0.647472  0.149045  0.637218  1
  Al  Al57  1  0.898033  0.900529  0.672175  1
  Al  Al58  1  0.397822  0.400240  0.671421  1
  Al  Al59  1  0.271837  0.774258  0.692058  1
  Al  Al60  1  0.771837  0.274258  0.692055  1
  Al  Al61  1  0.271837  0.274258  0.722005  1
  Al  Al62  1  0.145851  0.148277  0.671421  1
  Al  Al63  1  0.017593  0.528450  0.690690  1
  Al  Al64  1  0.526080  0.020066  0.690690  1
