# generated using pymatgen
data_Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.68066197
_cell_length_b   5.68066197
_cell_length_c   46.77614010
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al
_chemical_formula_sum   Al36
_cell_volume   1307.23271564
_cell_formula_units_Z   36
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  0.005309  1.003540  0.300177  1
  Al  Al2  1  0.005309  0.503540  0.300177  1
  Al  Al3  1  0.505309  0.503540  0.300177  1
  Al  Al4  1  0.505309  1.003540  0.300177  1
  Al  Al5  1  0.338643  0.670206  0.348580  1
  Al  Al6  1  0.338643  0.170206  0.348580  1
  Al  Al7  1  0.838643  0.170206  0.348580  1
  Al  Al8  1  0.838643  0.670206  0.348580  1
  Al  Al9  1  0.671976  0.336873  0.398768  1
  Al  Al10  1  0.671976  0.836873  0.398768  1
  Al  Al11  1  0.171976  0.836873  0.398768  1
  Al  Al12  1  0.171976  0.336873  0.398768  1
  Al  Al13  1  0.005309  1.003540  0.449040  1
  Al  Al14  1  0.005309  0.503540  0.449040  1
  Al  Al15  1  0.505309  0.503540  0.449040  1
  Al  Al16  1  0.505309  1.003540  0.449040  1
  Al  Al17  1  0.338643  0.670206  0.499301  1
  Al  Al18  1  0.338643  0.170206  0.499301  1
  Al  Al19  1  0.838643  0.170206  0.499301  1
  Al  Al20  1  0.838643  0.670206  0.499301  1
  Al  Al21  1  0.671976  0.336873  0.549563  1
  Al  Al22  1  0.671976  0.836873  0.549563  1
  Al  Al23  1  0.171976  0.836873  0.549563  1
  Al  Al24  1  0.171976  0.336873  0.549563  1
  Al  Al25  1  0.005309  1.003540  0.599834  1
  Al  Al26  1  0.005309  0.503540  0.599834  1
  Al  Al27  1  0.505309  0.503540  0.599834  1
  Al  Al28  1  0.505309  1.003540  0.599834  1
  Al  Al29  1  0.338643  0.670206  0.650022  1
  Al  Al30  1  0.338643  0.170206  0.650022  1
  Al  Al31  1  0.838643  0.170206  0.650022  1
  Al  Al32  1  0.838643  0.670206  0.650022  1
  Al  Al33  1  0.671976  0.336873  0.698425  1
  Al  Al34  1  0.671976  0.836873  0.698425  1
  Al  Al35  1  0.171976  0.836873  0.698425  1
  Al  Al36  1  0.171976  0.336873  0.698425  1
