# generated using pymatgen
data_AlFe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.91576945
_cell_length_b   2.50696442
_cell_length_c   48.43487549
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlFe2
_chemical_formula_sum   'Al6 Fe12'
_cell_volume   475.470384355
_cell_formula_units_Z   6
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  0.922396  0.382395  0.294270  1
  Al  Al2  1  0.422396  0.440358  0.364367  1
  Al  Al3  1  0.922396  0.444167  0.436011  1
  Al  Al4  1  0.422396  0.572828  0.507873  1
  Al  Al5  1  0.922396  0.575115  0.579289  1
  Al  Al6  1  0.422396  0.559538  0.649553  1
  Fe  Fe7  1  0.922396  0.044775  0.341497  1
  Fe  Fe8  1  0.422396  0.823341  0.316656  1
  Fe  Fe9  1  0.422396  0.065720  0.411963  1
  Fe  Fe10  1  0.922396  0.817975  0.388550  1
  Fe  Fe11  1  0.922396  0.068255  0.483873  1
  Fe  Fe12  1  0.422396  0.834532  0.459197  1
  Fe  Fe13  1  0.422396  0.954473  0.555300  1
  Fe  Fe14  1  0.922396  0.200331  0.531871  1
  Fe  Fe15  1  0.922396  0.951138  0.626750  1
  Fe  Fe16  1  0.422396  0.184737  0.602560  1
  Fe  Fe17  1  0.422396  0.831089  0.698695  1
  Fe  Fe18  1  0.922396  0.188082  0.674678  1
