# generated using pymatgen
data_Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.53733102
_cell_length_b   4.53733059
_cell_length_c   46.67390683
_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   832.157771636
_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  0.839640  0.920871  0.311760  1
  Al  Al2  1  0.172974  0.587538  0.292003  1
  Al  Al3  1  0.172973  0.587538  0.350646  1
  Al  Al4  1  0.506307  0.254205  0.327462  1
  Al  Al5  1  0.506307  0.254205  0.388378  1
  Al  Al6  1  0.839640  0.920871  0.370716  1
  Al  Al7  1  0.839640  0.920871  0.430566  1
  Al  Al8  1  0.172973  0.587538  0.409727  1
  Al  Al9  1  0.172973  0.587538  0.469972  1
  Al  Al10  1  0.506307  0.254205  0.449384  1
  Al  Al11  1  0.506307  0.254205  0.509878  1
  Al  Al12  1  0.839640  0.920871  0.490646  1
  Al  Al13  1  0.839640  0.920871  0.551139  1
  Al  Al14  1  0.172973  0.587538  0.530552  1
  Al  Al15  1  0.172973  0.587538  0.590796  1
  Al  Al16  1  0.506307  0.254205  0.569958  1
  Al  Al17  1  0.506307  0.254205  0.629808  1
  Al  Al18  1  0.839640  0.920871  0.612146  1
  Al  Al19  1  0.839640  0.920871  0.673061  1
  Al  Al20  1  0.172973  0.587538  0.649877  1
  Al  Al21  1  0.172973  0.587538  0.708521  1
  Al  Al22  1  0.506307  0.254204  0.688763  1
