# generated using pymatgen
data_AlFe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.81511907
_cell_length_b   6.37065114
_cell_length_c   46.27474302
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlFe
_chemical_formula_sum   'Al16 Fe16'
_cell_volume   829.897790091
_cell_formula_units_Z   16
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  1.006433  0.378558  0.306710  1
  Al  Al2  1  1.006433  0.005952  0.280517  1
  Al  Al3  1  1.006433  0.182009  0.364654  1
  Al  Al4  1  1.006433  0.779718  0.336632  1
  Al  Al5  1  1.006433  0.978371  0.419718  1
  Al  Al6  1  1.006433  0.578401  0.391428  1
  Al  Al7  1  1.006433  0.776186  0.475145  1
  Al  Al8  1  1.006433  0.377784  0.447575  1
  Al  Al9  1  1.006433  0.574596  0.530821  1
  Al  Al10  1  1.006433  0.175064  0.502897  1
  Al  Al11  1  1.006433  0.371149  0.585867  1
  Al  Al12  1  1.006433  0.973607  0.558720  1
  Al  Al13  1  1.006433  0.171780  0.642663  1
  Al  Al14  1  1.006433  0.772045  0.614292  1
  Al  Al15  1  1.006433  0.959983  0.698693  1
  Al  Al16  1  1.006433  0.571502  0.667645  1
  Fe  Fe17  1  0.506433  0.079922  0.323978  1
  Fe  Fe18  1  0.506433  0.692914  0.294810  1
  Fe  Fe19  1  0.506433  0.879864  0.378158  1
  Fe  Fe20  1  0.506433  0.477878  0.349372  1
  Fe  Fe21  1  0.506433  0.677300  0.433331  1
  Fe  Fe22  1  0.506433  0.279758  0.406059  1
  Fe  Fe23  1  0.506433  0.476120  0.489179  1
  Fe  Fe24  1  0.506433  0.076760  0.461313  1
  Fe  Fe25  1  0.506433  0.273180  0.544424  1
  Fe  Fe26  1  0.506433  0.874932  0.516923  1
  Fe  Fe27  1  0.506433  0.072763  0.600609  1
  Fe  Fe28  1  0.506433  0.673196  0.572530  1
  Fe  Fe29  1  0.506433  0.873071  0.655991  1
  Fe  Fe30  1  0.506433  0.468281  0.627023  1
  Fe  Fe31  1  0.506433  0.636314  0.710121  1
  Fe  Fe32  1  0.506433  0.273932  0.684579  1
