# generated using pymatgen
data_Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.52920204
_cell_length_b   4.52920204
_cell_length_c   46.20274577
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al
_chemical_formula_sum   Al22
_cell_volume   820.808426067
_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  0.917095  0.917524  0.311316  1
  Al  Al2  1  0.583762  0.584191  0.293086  1
  Al  Al3  1  0.583762  0.584191  0.351390  1
  Al  Al4  1  0.250429  0.250858  0.329123  1
  Al  Al5  1  0.250429  0.250858  0.390081  1
  Al  Al6  1  0.917095  0.917524  0.370978  1
  Al  Al7  1  0.917095  0.917524  0.431079  1
  Al  Al8  1  0.583762  0.584191  0.411112  1
  Al  Al9  1  0.583762  0.584191  0.471090  1
  Al  Al10  1  0.250429  0.250858  0.450627  1
  Al  Al11  1  0.250429  0.250858  0.510944  1
  Al  Al12  1  0.917095  0.917524  0.491275  1
  Al  Al13  1  0.917095  0.917524  0.551592  1
  Al  Al14  1  0.583762  0.584191  0.531129  1
  Al  Al15  1  0.583762  0.584191  0.591107  1
  Al  Al16  1  0.250429  0.250858  0.571140  1
  Al  Al17  1  0.250429  0.250858  0.631241  1
  Al  Al18  1  0.917095  0.917524  0.612138  1
  Al  Al19  1  0.917095  0.917524  0.673096  1
  Al  Al20  1  0.583762  0.584191  0.650829  1
  Al  Al21  1  0.583762  0.584191  0.709133  1
  Al  Al22  1  0.250429  0.250858  0.690903  1
