# generated using pymatgen
data_AlFe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.64537173
_cell_length_b   4.80880133
_cell_length_c   46.59300280
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   76.77465998
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlFe
_chemical_formula_sum   'Al10 Fe10'
_cell_volume   576.992678795
_cell_formula_units_Z   10
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  0.687303  0.763371  0.294128  1
  Al  Al2  1  0.312668  0.542519  0.338601  1
  Al  Al3  1  0.945953  0.294868  0.381634  1
  Al  Al4  1  0.587851  1.062192  0.430049  1
  Al  Al5  1  0.296681  0.706716  0.469459  1
  Al  Al6  1  0.292770  0.714146  0.546010  1
  Al  Al7  1  0.927154  0.472446  0.589383  1
  Al  Al8  1  0.552552  0.235986  0.633807  1
  Al  Al9  1  0.166397  1.018925  0.679437  1
  Al  Al10  1  0.443218  0.455939  0.706531  1
  Fe  Fe11  1  -0.015962  0.220956  0.304820  1
  Fe  Fe12  1  0.601465  0.997851  0.345467  1
  Fe  Fe13  1  0.254624  0.770415  0.389295  1
  Fe  Fe14  1  0.883641  0.526494  0.428143  1
  Fe  Fe15  1  0.009514  0.248670  0.475022  1
  Fe  Fe16  1  0.669603  0.947334  0.507578  1
  Fe  Fe17  1  0.009210  0.259642  0.538713  1
  Fe  Fe18  1  0.639575  1.015376  0.582059  1
  Fe  Fe19  1  0.267557  0.788953  0.623528  1
  Fe  Fe20  1  0.876871  0.582876  0.662970  1
