# generated using pymatgen
data_Sc(Al2Fe)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.59740393
_cell_length_b   8.59740393
_cell_length_c   5.00251574
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc(Al2Fe)4
_chemical_formula_sum   'Sc2 Al16 Fe8'
_cell_volume   369.76272349
_cell_formula_units_Z   2
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
  Sc  Sc0  1  0.00000000  0.00000000  0.00000000  1
  Sc  Sc1  1  0.50000000  0.50000000  0.50000000  1
  Al  Al2  1  0.00000000  0.21785700  0.50000000  1
  Al  Al3  1  0.00000000  0.78214300  0.50000000  1
  Al  Al4  1  0.21785700  0.00000000  0.50000000  1
  Al  Al5  1  0.78214300  0.00000000  0.50000000  1
  Al  Al6  1  0.50000000  0.71785700  0.00000000  1
  Al  Al7  1  0.50000000  0.28214300  0.00000000  1
  Al  Al8  1  0.71785700  0.50000000  0.00000000  1
  Al  Al9  1  0.28214300  0.50000000  0.00000000  1
  Al  Al10  1  0.00000000  0.33556300  0.00000000  1
  Al  Al11  1  0.00000000  0.66443700  0.00000000  1
  Al  Al12  1  0.33556300  0.00000000  0.00000000  1
  Al  Al13  1  0.66443700  0.00000000  0.00000000  1
  Al  Al14  1  0.50000000  0.83556300  0.50000000  1
  Al  Al15  1  0.50000000  0.16443700  0.50000000  1
  Al  Al16  1  0.83556300  0.50000000  0.50000000  1
  Al  Al17  1  0.16443700  0.50000000  0.50000000  1
  Fe  Fe18  1  0.25000000  0.25000000  0.25000000  1
  Fe  Fe19  1  0.75000000  0.75000000  0.75000000  1
  Fe  Fe20  1  0.25000000  0.75000000  0.25000000  1
  Fe  Fe21  1  0.75000000  0.25000000  0.75000000  1
  Fe  Fe22  1  0.75000000  0.75000000  0.25000000  1
  Fe  Fe23  1  0.25000000  0.25000000  0.75000000  1
  Fe  Fe24  1  0.75000000  0.25000000  0.25000000  1
  Fe  Fe25  1  0.25000000  0.75000000  0.75000000  1
