# generated using pymatgen
data_Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.97072066
_cell_length_b   8.97050948
_cell_length_c   49.70903440
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   78.46304097
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al
_chemical_formula_sum   Al112
_cell_volume   3919.36208041
_cell_formula_units_Z   112
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  0.816250  0.817003  0.274636  1
  Al  Al2  1  0.316250  0.317003  0.274636  1
  Al  Al3  1  0.232753  0.733499  0.305169  1
  Al  Al4  1  0.732753  0.233499  0.305169  1
  Al  Al5  1  0.982753  0.983499  0.305169  1
  Al  Al6  1  0.482753  0.483499  0.305169  1
  Al  Al7  1  0.566250  0.067003  0.274636  1
  Al  Al8  1  0.066250  0.567003  0.274636  1
  Al  Al9  1  0.691039  0.941787  0.323362  1
  Al  Al10  1  0.191039  0.441787  0.323362  1
  Al  Al11  1  0.272669  0.023417  0.288955  1
  Al  Al12  1  0.772669  0.523417  0.288955  1
  Al  Al13  1  0.941039  0.691787  0.323362  1
  Al  Al14  1  0.441039  0.191787  0.323362  1
  Al  Al15  1  0.522669  0.773417  0.288955  1
  Al  Al16  1  0.022669  0.273417  0.288955  1
  Al  Al17  1  0.650091  0.650837  0.339092  1
  Al  Al18  1  0.150091  0.150837  0.339092  1
  Al  Al19  1  0.066852  0.567597  0.372763  1
  Al  Al20  1  0.566852  0.067597  0.372763  1
  Al  Al21  1  0.816852  0.817597  0.372763  1
  Al  Al22  1  0.316852  0.317597  0.372763  1
  Al  Al23  1  0.400091  0.900837  0.339092  1
  Al  Al24  1  0.900091  0.400837  0.339092  1
  Al  Al25  1  0.524711  0.775455  0.389197  1
  Al  Al26  1  0.024711  0.275455  0.389197  1
  Al  Al27  1  0.108763  0.859508  0.355616  1
  Al  Al28  1  0.608763  0.359508  0.355616  1
  Al  Al29  1  0.774711  0.525455  0.389197  1
  Al  Al30  1  0.274711  0.025455  0.389197  1
  Al  Al31  1  0.358763  0.609508  0.355616  1
  Al  Al32  1  0.858763  0.109508  0.355616  1
  Al  Al33  1  0.483066  0.483810  0.405896  1
  Al  Al34  1  0.983066  0.983810  0.405896  1
  Al  Al35  1  0.899291  0.400033  0.439334  1
  Al  Al36  1  0.399291  0.900033  0.439334  1
  Al  Al37  1  0.649291  0.650033  0.439334  1
  Al  Al38  1  0.149291  0.150033  0.439334  1
  Al  Al39  1  0.233066  0.733810  0.405896  1
  Al  Al40  1  0.733066  0.233810  0.405896  1
  Al  Al41  1  0.357510  0.608252  0.456045  1
  Al  Al42  1  0.857510  0.108252  0.456045  1
  Al  Al43  1  0.941165  0.691908  0.422712  1
  Al  Al44  1  0.441165  0.191908  0.422712  1
  Al  Al45  1  0.607510  0.358252  0.456045  1
  Al  Al46  1  0.107510  0.858252  0.456045  1
  Al  Al47  1  0.191165  0.441908  0.422712  1
  Al  Al48  1  0.691165  0.941908  0.422712  1
  Al  Al49  1  0.315654  0.316395  0.472768  1
  Al  Al50  1  0.815654  0.816395  0.472768  1
  Al  Al51  1  0.731995  0.232734  0.506163  1
  Al  Al52  1  0.231995  0.732734  0.506163  1
  Al  Al53  1  0.481995  0.482734  0.506163  1
  Al  Al54  1  0.981995  0.982734  0.506163  1
  Al  Al55  1  0.065654  0.566395  0.472768  1
  Al  Al56  1  0.565654  0.066395  0.472768  1
  Al  Al57  1  0.190143  0.440882  0.522847  1
  Al  Al58  1  0.690143  0.940882  0.522847  1
  Al  Al59  1  0.773803  0.524543  0.489452  1
  Al  Al60  1  0.273803  0.024543  0.489452  1
  Al  Al61  1  0.440143  0.190882  0.522847  1
  Al  Al62  1  0.940143  0.690882  0.522847  1
  Al  Al63  1  0.023803  0.274543  0.489452  1
  Al  Al64  1  0.523803  0.774543  0.489452  1
  Al  Al65  1  0.148287  0.149025  0.539569  1
  Al  Al66  1  0.648287  0.649025  0.539569  1
  Al  Al67  1  0.564633  0.065369  0.572903  1
  Al  Al68  1  0.064633  0.565369  0.572903  1
  Al  Al69  1  0.314633  0.315369  0.572903  1
  Al  Al70  1  0.814633  0.815369  0.572903  1
  Al  Al71  1  0.898287  0.399025  0.539569  1
  Al  Al72  1  0.398287  0.899025  0.539569  1
  Al  Al73  1  0.022731  0.273467  0.589718  1
  Al  Al74  1  0.522731  0.773467  0.589718  1
  Al  Al75  1  0.606507  0.357244  0.556281  1
  Al  Al76  1  0.106507  0.857244  0.556281  1
  Al  Al77  1  0.272731  0.023467  0.589718  1
  Al  Al78  1  0.772731  0.523467  0.589718  1
  Al  Al79  1  0.856507  0.107244  0.556281  1
  Al  Al80  1  0.356507  0.607244  0.556281  1
  Al  Al81  1  0.981087  0.981822  0.606417  1
  Al  Al82  1  0.481087  0.481822  0.606417  1
  Al  Al83  1  0.397035  0.897769  0.639999  1
  Al  Al84  1  0.897035  0.397769  0.639999  1
  Al  Al85  1  0.147035  0.147769  0.639999  1
  Al  Al86  1  0.647035  0.647769  0.639999  1
  Al  Al87  1  0.731087  0.231822  0.606417  1
  Al  Al88  1  0.231087  0.731822  0.606417  1
  Al  Al89  1  0.855707  0.106440  0.656522  1
  Al  Al90  1  0.355707  0.606440  0.656522  1
  Al  Al91  1  0.438946  0.189680  0.622852  1
  Al  Al92  1  0.938946  0.689680  0.622852  1
  Al  Al93  1  0.105707  0.856440  0.656522  1
  Al  Al94  1  0.605707  0.356440  0.656522  1
  Al  Al95  1  0.688946  0.939680  0.622852  1
  Al  Al96  1  0.188946  0.439680  0.622852  1
  Al  Al97  1  0.814759  0.815490  0.672252  1
  Al  Al98  1  0.314759  0.315490  0.672252  1
  Al  Al99  1  0.233129  0.733860  0.706660  1
  Al  Al100  1  0.733129  0.233860  0.706660  1
  Al  Al101  1  0.983129  0.983860  0.706660  1
  Al  Al102  1  0.483129  0.483860  0.706660  1
  Al  Al103  1  0.564759  0.065490  0.672252  1
  Al  Al104  1  0.064759  0.565490  0.672252  1
  Al  Al105  1  0.689548  0.940274  0.720978  1
  Al  Al106  1  0.189548  0.440274  0.720978  1
  Al  Al107  1  0.273044  0.023778  0.690445  1
  Al  Al108  1  0.773044  0.523778  0.690445  1
  Al  Al109  1  0.939548  0.690274  0.720978  1
  Al  Al110  1  0.439548  0.190274  0.720978  1
  Al  Al111  1  0.523044  0.773778  0.690445  1
  Al  Al112  1  0.023044  0.273778  0.690445  1
