# generated using pymatgen
data_AlFe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.61685187
_cell_length_b   4.42145231
_cell_length_c   46.20288313
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlFe2
_chemical_formula_sum   'Al20 Fe40'
_cell_volume   1555.99978335
_cell_formula_units_Z   20
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  0.950319  0.469898  0.296490  1
  Al  Al2  1  0.450319  0.969898  0.296490  1
  Al  Al3  1  0.950319  0.835587  0.341980  1
  Al  Al4  1  0.450319  0.335587  0.341980  1
  Al  Al5  1  0.950319  0.210125  0.387619  1
  Al  Al6  1  0.450319  0.710125  0.387619  1
  Al  Al7  1  0.950319  0.584131  0.433343  1
  Al  Al8  1  0.450319  0.084131  0.433343  1
  Al  Al9  1  0.950319  0.958058  0.479023  1
  Al  Al10  1  0.450319  0.458058  0.479023  1
  Al  Al11  1  0.950319  0.331955  0.524712  1
  Al  Al12  1  0.450319  0.831955  0.524712  1
  Al  Al13  1  0.950319  0.705882  0.570392  1
  Al  Al14  1  0.450319  0.205882  0.570392  1
  Al  Al15  1  0.950319  0.079887  0.616116  1
  Al  Al16  1  0.450319  0.579887  0.616116  1
  Al  Al17  1  0.950319  0.454426  0.661754  1
  Al  Al18  1  0.450319  0.954426  0.661754  1
  Al  Al19  1  0.950319  0.820115  0.707245  1
  Al  Al20  1  0.450319  0.320115  0.707245  1
  Fe  Fe21  1  0.118145  0.975778  0.296692  1
  Fe  Fe22  1  0.618145  0.475778  0.296692  1
  Fe  Fe23  1  0.282494  0.475778  0.296692  1
  Fe  Fe24  1  0.782494  0.975778  0.296692  1
  Fe  Fe25  1  0.118783  0.335773  0.342018  1
  Fe  Fe26  1  0.618783  0.835773  0.342018  1
  Fe  Fe27  1  0.281856  0.835773  0.342018  1
  Fe  Fe28  1  0.781856  0.335773  0.342018  1
  Fe  Fe29  1  0.118379  0.710122  0.387666  1
  Fe  Fe30  1  0.618379  0.210122  0.387666  1
  Fe  Fe31  1  0.282260  0.210122  0.387666  1
  Fe  Fe32  1  0.782260  0.710122  0.387666  1
  Fe  Fe33  1  0.118405  0.084214  0.433330  1
  Fe  Fe34  1  0.618405  0.584214  0.433330  1
  Fe  Fe35  1  0.282234  0.584214  0.433330  1
  Fe  Fe36  1  0.782234  0.084214  0.433330  1
  Fe  Fe37  1  0.118445  0.458040  0.479024  1
  Fe  Fe38  1  0.618445  0.958040  0.479024  1
  Fe  Fe39  1  0.282194  0.958040  0.479024  1
  Fe  Fe40  1  0.782194  0.458040  0.479024  1
  Fe  Fe41  1  0.118445  0.831972  0.524711  1
  Fe  Fe42  1  0.618445  0.331972  0.524711  1
  Fe  Fe43  1  0.282194  0.331972  0.524711  1
  Fe  Fe44  1  0.782194  0.831972  0.524711  1
  Fe  Fe45  1  0.118405  0.205798  0.570405  1
  Fe  Fe46  1  0.618405  0.705798  0.570405  1
  Fe  Fe47  1  0.282234  0.705798  0.570405  1
  Fe  Fe48  1  0.782234  0.205798  0.570405  1
  Fe  Fe49  1  0.118379  0.579890  0.616068  1
  Fe  Fe50  1  0.618379  0.079890  0.616068  1
  Fe  Fe51  1  0.282260  0.079890  0.616068  1
  Fe  Fe52  1  0.782260  0.579890  0.616068  1
  Fe  Fe53  1  0.118783  0.954239  0.661717  1
  Fe  Fe54  1  0.618783  0.454239  0.661717  1
  Fe  Fe55  1  0.281856  0.454239  0.661717  1
  Fe  Fe56  1  0.781856  0.954239  0.661717  1
  Fe  Fe57  1  0.118145  0.314234  0.707042  1
  Fe  Fe58  1  0.618145  0.814234  0.707042  1
  Fe  Fe59  1  0.282494  0.814234  0.707042  1
  Fe  Fe60  1  0.782494  0.314234  0.707042  1
