# generated using pymatgen
data_AlFe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.79414205
_cell_length_b   4.06850420
_cell_length_c   73.49883963
_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   835.533241471
_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  1.174201  0.065722  0.096209  1
  Al  Al2  1  1.174201  0.565722  0.120692  1
  Al  Al3  1  1.174201  0.065722  0.151454  1
  Al  Al4  1  1.174201  0.565722  0.177739  1
  Al  Al5  1  1.174201  0.065722  0.206082  1
  Al  Al6  1  1.174201  0.565722  0.233372  1
  Al  Al7  1  1.174201  0.065722  0.261280  1
  Al  Al8  1  1.174201  0.565722  0.288927  1
  Al  Al9  1  0.674201  0.065722  0.343870  1
  Al  Al10  1  0.674201  0.565722  0.371517  1
  Al  Al11  1  0.674201  0.065722  0.399425  1
  Al  Al12  1  0.674201  0.565722  0.426716  1
  Al  Al13  1  0.674201  0.065722  0.455058  1
  Al  Al14  1  0.674201  0.565722  0.481343  1
  Al  Al15  1  0.674201  0.065722  0.512106  1
  Al  Al16  1  0.674201  0.565722  0.536588  1
  Fe  Fe17  1  0.674201  0.065722  0.124617  1
  Fe  Fe18  1  0.674201  0.565722  0.149532  1
  Fe  Fe19  1  0.674201  0.065722  0.178652  1
  Fe  Fe20  1  0.674201  0.565722  0.205620  1
  Fe  Fe21  1  0.674201  0.065722  0.233645  1
  Fe  Fe22  1  0.674201  0.565722  0.261005  1
  Fe  Fe23  1  0.674201  0.065722  0.288752  1
  Fe  Fe24  1  0.674201  0.565722  0.316591  1
  Fe  Fe25  1  1.174201  0.065722  0.316207  1
  Fe  Fe26  1  1.174201  0.565722  0.344045  1
  Fe  Fe27  1  1.174201  0.065722  0.371792  1
  Fe  Fe28  1  1.174201  0.565722  0.399153  1
  Fe  Fe29  1  1.174201  0.065722  0.427177  1
  Fe  Fe30  1  1.174201  0.565722  0.454146  1
  Fe  Fe31  1  1.174201  0.065722  0.483265  1
  Fe  Fe32  1  1.174201  0.565722  0.508180  1
