# generated using pymatgen
data_Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.82820358
_cell_length_b   13.85023363
_cell_length_c   48.70414006
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al
_chemical_formula_sum   Al84
_cell_volume   2582.36724091
_cell_formula_units_Z   84
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  0.005372  0.606820  0.311439  1
  Al  Al2  1  0.005372  0.377352  0.270226  1
  Al  Al3  1  0.005372  0.993034  0.289991  1
  Al  Al4  1  0.505372  0.493034  0.289991  1
  Al  Al5  1  0.505372  0.106820  0.311439  1
  Al  Al6  1  0.505372  0.877352  0.270226  1
  Al  Al7  1  0.505372  0.684446  0.279650  1
  Al  Al8  1  0.505372  0.299319  0.301227  1
  Al  Al9  1  0.505372  0.916038  0.323685  1
  Al  Al10  1  0.005372  0.416038  0.323685  1
  Al  Al11  1  0.005372  0.184446  0.279650  1
  Al  Al12  1  0.005372  0.799319  0.301227  1
  Al  Al13  1  0.005372  0.453683  0.378889  1
  Al  Al14  1  0.005372  0.222957  0.334333  1
  Al  Al15  1  0.005372  0.838385  0.356555  1
  Al  Al16  1  0.505372  0.338385  0.356555  1
  Al  Al17  1  0.505372  0.953683  0.378889  1
  Al  Al18  1  0.505372  0.722957  0.334333  1
  Al  Al19  1  0.505372  0.531073  0.345231  1
  Al  Al20  1  0.505372  0.145771  0.367423  1
  Al  Al21  1  0.505372  0.761026  0.389916  1
  Al  Al22  1  0.005372  0.261026  0.389916  1
  Al  Al23  1  0.005372  0.031073  0.345231  1
  Al  Al24  1  0.005372  0.645771  0.367423  1
  Al  Al25  1  0.005372  0.298980  0.445627  1
  Al  Al26  1  0.005372  0.068770  0.401013  1
  Al  Al27  1  0.005372  0.683802  0.423300  1
  Al  Al28  1  0.505372  0.183802  0.423300  1
  Al  Al29  1  0.505372  0.798980  0.445627  1
  Al  Al30  1  0.505372  0.568770  0.401013  1
  Al  Al31  1  0.505372  0.376253  0.412231  1
  Al  Al32  1  0.505372  0.991464  0.434501  1
  Al  Al33  1  0.505372  0.606604  0.456760  1
  Al  Al34  1  0.005372  0.106604  0.456760  1
  Al  Al35  1  0.005372  0.876253  0.412231  1
  Al  Al36  1  0.005372  0.491464  0.434501  1
  Al  Al37  1  0.005372  0.144511  0.512491  1
  Al  Al38  1  0.005372  0.914172  0.467920  1
  Al  Al39  1  0.005372  0.529350  0.490200  1
  Al  Al40  1  0.505372  0.029350  0.490200  1
  Al  Al41  1  0.505372  0.644511  0.512491  1
  Al  Al42  1  0.505372  0.414172  0.467920  1
  Al  Al43  1  0.505372  0.221745  0.479052  1
  Al  Al44  1  0.505372  0.836906  0.501342  1
  Al  Al45  1  0.505372  0.452084  0.523623  1
  Al  Al46  1  0.005372  0.952084  0.523623  1
  Al  Al47  1  0.005372  0.721745  0.479052  1
  Al  Al48  1  0.005372  0.336906  0.501342  1
  Al  Al49  1  0.005372  0.990004  0.579312  1
  Al  Al50  1  0.005372  0.759652  0.534783  1
  Al  Al51  1  0.005372  0.374792  0.557042  1
  Al  Al52  1  0.505372  0.874792  0.557042  1
  Al  Al53  1  0.505372  0.490004  0.579312  1
  Al  Al54  1  0.505372  0.259652  0.534783  1
  Al  Al55  1  0.505372  0.067276  0.545916  1
  Al  Al56  1  0.505372  0.682454  0.568243  1
  Al  Al57  1  0.505372  0.297487  0.590530  1
  Al  Al58  1  0.005372  0.797487  0.590530  1
  Al  Al59  1  0.005372  0.567276  0.545916  1
  Al  Al60  1  0.005372  0.182454  0.568243  1
  Al  Al61  1  0.005372  0.835183  0.646312  1
  Al  Al62  1  0.005372  0.605231  0.601627  1
  Al  Al63  1  0.005372  0.220486  0.624120  1
  Al  Al64  1  0.505372  0.720486  0.624120  1
  Al  Al65  1  0.505372  0.335183  0.646312  1
  Al  Al66  1  0.505372  0.105231  0.601627  1
  Al  Al67  1  0.505372  0.912574  0.612654  1
  Al  Al68  1  0.505372  0.527871  0.634988  1
  Al  Al69  1  0.505372  0.143300  0.657210  1
  Al  Al70  1  0.005372  0.643300  0.657210  1
  Al  Al71  1  0.005372  0.412574  0.612654  1
  Al  Al72  1  0.005372  0.027871  0.634988  1
  Al  Al73  1  0.005372  0.681810  0.711893  1
  Al  Al74  1  0.005372  0.450219  0.667858  1
  Al  Al75  1  0.005372  0.066937  0.690316  1
  Al  Al76  1  0.505372  0.566937  0.690316  1
  Al  Al77  1  0.505372  0.181810  0.711893  1
  Al  Al78  1  0.505372  0.950219  0.667858  1
  Al  Al79  1  0.505372  0.759437  0.680104  1
  Al  Al80  1  0.505372  0.373222  0.701552  1
  Al  Al81  1  0.505372  0.988904  0.721317  1
  Al  Al82  1  0.005372  0.488904  0.721317  1
  Al  Al83  1  0.005372  0.259437  0.680104  1
  Al  Al84  1  0.005372  0.873222  0.701552  1
