# generated using pymatgen
data_Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.53994092
_cell_length_b   4.53994092
_cell_length_c   46.35551741
_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   827.432294987
_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  0.835410  0.918051  0.310900  1
  Al  Al2  1  0.168743  0.584718  0.294254  1
  Al  Al3  1  0.168743  0.584718  0.351523  1
  Al  Al4  1  0.502077  0.251384  0.328814  1
  Al  Al5  1  0.502077  0.251384  0.390007  1
  Al  Al6  1  0.835410  0.918051  0.370615  1
  Al  Al7  1  0.835410  0.918051  0.430901  1
  Al  Al8  1  0.168743  0.584718  0.411184  1
  Al  Al9  1  0.168743  0.584718  0.471144  1
  Al  Al10  1  0.502077  0.251384  0.450682  1
  Al  Al11  1  0.502077  0.251384  0.511109  1
  Al  Al12  1  0.835410  0.918051  0.491229  1
  Al  Al13  1  0.835410  0.918051  0.551656  1
  Al  Al14  1  0.168743  0.584718  0.531194  1
  Al  Al15  1  0.168743  0.584718  0.591153  1
  Al  Al16  1  0.502077  0.251384  0.571437  1
  Al  Al17  1  0.502077  0.251384  0.631722  1
  Al  Al18  1  0.835410  0.918051  0.612330  1
  Al  Al19  1  0.835410  0.918051  0.673524  1
  Al  Al20  1  0.168743  0.584718  0.650815  1
  Al  Al21  1  0.168743  0.584718  0.708084  1
  Al  Al22  1  0.502077  0.251384  0.691438  1
