# generated using pymatgen
data_Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.51328444
_cell_length_b   4.51328443
_cell_length_c   46.11964238
_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   Al22
_cell_volume   813.583199862
_cell_formula_units_Z   22
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  0.839877  0.921029  0.314590  1
  Al  Al2  1  0.173211  0.587696  0.298283  1
  Al  Al3  1  0.173211  0.587696  0.354880  1
  Al  Al4  1  0.506544  0.254363  0.329921  1
  Al  Al5  1  0.506544  0.254363  0.390586  1
  Al  Al6  1  0.839877  0.921029  0.372561  1
  Al  Al7  1  0.839877  0.921029  0.433042  1
  Al  Al8  1  0.173211  0.587696  0.413995  1
  Al  Al9  1  0.173211  0.587696  0.473785  1
  Al  Al10  1  0.506544  0.254363  0.452158  1
  Al  Al11  1  0.506544  0.254363  0.513468  1
  Al  Al12  1  0.839877  0.921029  0.494029  1
  Al  Al13  1  0.839877  0.921029  0.555340  1
  Al  Al14  1  0.173211  0.587696  0.533713  1
  Al  Al15  1  0.173211  0.587696  0.593502  1
  Al  Al16  1  0.506544  0.254363  0.574456  1
  Al  Al17  1  0.506544  0.254363  0.634937  1
  Al  Al18  1  0.839877  0.921029  0.616912  1
  Al  Al19  1  0.839877  0.921029  0.677577  1
  Al  Al20  1  0.173211  0.587696  0.652618  1
  Al  Al21  1  0.173211  0.587696  0.709215  1
  Al  Al22  1  0.506544  0.254363  0.692907  1
