# generated using pymatgen
data_AlFe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.02605146
_cell_length_b   4.02605146
_cell_length_c   47.74641446
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999999
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlFe
_chemical_formula_sum   'Al13 Fe13'
_cell_volume   670.239529446
_cell_formula_units_Z   13
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  0.501182  0.250788  0.283914  1
  Al  Al2  1  0.834516  0.917455  0.317904  1
  Al  Al3  1  0.167849  0.584122  0.353662  1
  Al  Al4  1  0.501182  0.250788  0.387880  1
  Al  Al5  1  0.834516  0.917455  0.422226  1
  Al  Al6  1  0.167849  0.584122  0.456863  1
  Al  Al7  1  0.501182  0.250788  0.491354  1
  Al  Al8  1  0.834516  0.917455  0.525871  1
  Al  Al9  1  0.167849  0.584122  0.560327  1
  Al  Al10  1  0.501182  0.250788  0.594830  1
  Al  Al11  1  0.834516  0.917455  0.629649  1
  Al  Al12  1  0.167849  0.584122  0.663547  1
  Al  Al13  1  0.501182  0.250788  0.697959  1
  Fe  Fe14  1  0.167849  0.584122  0.302797  1
  Fe  Fe15  1  0.501182  0.250788  0.336285  1
  Fe  Fe16  1  0.834516  0.917455  0.370257  1
  Fe  Fe17  1  0.167849  0.584122  0.405179  1
  Fe  Fe18  1  0.501182  0.250788  0.439606  1
  Fe  Fe19  1  0.834516  0.917455  0.474066  1
  Fe  Fe20  1  0.167849  0.584122  0.508597  1
  Fe  Fe21  1  0.501182  0.250788  0.543101  1
  Fe  Fe22  1  0.834516  0.917455  0.577702  1
  Fe  Fe23  1  0.167849  0.584122  0.612018  1
  Fe  Fe24  1  0.501182  0.250788  0.646411  1
  Fe  Fe25  1  0.834516  0.917455  0.681629  1
  Fe  Fe26  1  0.167849  0.584122  0.714722  1
