# generated using pymatgen
data_AlFe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.82179915
_cell_length_b   2.82179915
_cell_length_c   49.20291195
_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   'Al8 Fe8'
_cell_volume   391.780668902
_cell_formula_units_Z   8
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  1.005234  1.005234  0.270749  1
  Al  Al2  1  1.005234  1.005234  0.331062  1
  Al  Al3  1  1.005234  1.005234  0.389816  1
  Al  Al4  1  1.005234  1.005234  0.448583  1
  Al  Al5  1  1.005234  1.005234  0.507348  1
  Al  Al6  1  1.005234  1.005234  0.566113  1
  Al  Al7  1  1.005234  1.005234  0.624889  1
  Al  Al8  1  1.005234  1.005234  0.683267  1
  Fe  Fe9  1  0.505234  0.505234  0.301958  1
  Fe  Fe10  1  0.505234  0.505234  0.360466  1
  Fe  Fe11  1  0.505234  0.505234  0.419202  1
  Fe  Fe12  1  0.505234  0.505234  0.477965  1
  Fe  Fe13  1  0.505234  0.505234  0.536729  1
  Fe  Fe14  1  0.505234  0.505234  0.595493  1
  Fe  Fe15  1  0.505234  0.505234  0.654054  1
  Fe  Fe16  1  0.505234  0.505234  0.713584  1
