# generated using pymatgen
data_Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.61209544
_cell_length_b   4.61209609
_cell_length_c   47.15984913
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999999
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al
_chemical_formula_sum   Al22
_cell_volume   868.75971047
_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  0.839174  0.920560  0.313868  1
  Al  Al2  1  0.172507  0.587227  0.294764  1
  Al  Al3  1  0.172507  0.587227  0.353314  1
  Al  Al4  1  0.505841  0.253894  0.331023  1
  Al  Al5  1  0.505841  0.253894  0.391298  1
  Al  Al6  1  0.839174  0.920560  0.372822  1
  Al  Al7  1  0.839174  0.920560  0.432920  1
  Al  Al8  1  0.172507  0.587227  0.412687  1
  Al  Al9  1  0.172507  0.587227  0.472838  1
  Al  Al10  1  0.505841  0.253894  0.452031  1
  Al  Al11  1  0.505841  0.253894  0.512584  1
  Al  Al12  1  0.839174  0.920561  0.493327  1
  Al  Al13  1  0.839174  0.920561  0.553880  1
  Al  Al14  1  0.172508  0.587227  0.533072  1
  Al  Al15  1  0.172508  0.587227  0.593223  1
  Al  Al16  1  0.505841  0.253894  0.572990  1
  Al  Al17  1  0.505841  0.253894  0.633089  1
  Al  Al18  1  0.839174  0.920561  0.614612  1
  Al  Al19  1  0.839174  0.920561  0.674888  1
  Al  Al20  1  0.172508  0.587227  0.652597  1
  Al  Al21  1  0.172508  0.587227  0.711147  1
  Al  Al22  1  0.505841  0.253894  0.692042  1
