# generated using pymatgen
data_AlFe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.95575099
_cell_length_b   3.95575099
_cell_length_c   50.04585024
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlFe2
_chemical_formula_sum   'Al9 Fe18'
_cell_volume   678.198140798
_cell_formula_units_Z   9
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  0.000927  1.000618  0.312873  1
  Al  Al2  1  0.000927  1.000618  0.363628  1
  Al  Al3  1  0.000927  1.000618  0.413947  1
  Al  Al4  1  0.000927  0.000618  0.464071  1
  Al  Al5  1  0.000927  0.000618  0.514140  1
  Al  Al6  1  1.000927  0.000618  0.564199  1
  Al  Al7  1  1.000927  0.000618  0.614277  1
  Al  Al8  1  1.000927  0.000618  0.664397  1
  Al  Al9  1  1.000927  0.000618  0.714974  1
  Fe  Fe10  1  0.667594  0.333952  0.296874  1
  Fe  Fe11  1  0.334261  0.667285  0.283984  1
  Fe  Fe12  1  0.667594  0.333952  0.345606  1
  Fe  Fe13  1  0.334261  0.667285  0.333347  1
  Fe  Fe14  1  0.667594  0.333952  0.395170  1
  Fe  Fe15  1  0.334261  0.667285  0.383197  1
  Fe  Fe16  1  0.667594  0.333952  0.445089  1
  Fe  Fe17  1  0.334261  0.667285  0.433162  1
  Fe  Fe18  1  0.667594  0.333952  0.495097  1
  Fe  Fe19  1  0.334261  0.667285  0.483174  1
  Fe  Fe20  1  0.667594  0.333952  0.545118  1
  Fe  Fe21  1  0.334261  0.667285  0.533207  1
  Fe  Fe22  1  0.667594  0.333952  0.595104  1
  Fe  Fe23  1  0.334261  0.667285  0.583255  1
  Fe  Fe24  1  0.667594  0.333952  0.644915  1
  Fe  Fe25  1  0.334261  0.667285  0.633344  1
  Fe  Fe26  1  0.667594  0.333952  0.693642  1
  Fe  Fe27  1  0.334261  0.667285  0.683519  1
