# generated using pymatgen
data_Sc(AlFe)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.95438324
_cell_length_b   8.42043308
_cell_length_c   8.56554054
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc(AlFe)6
_chemical_formula_sum   'Sc2 Al12 Fe12'
_cell_volume   357.33767015
_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  0.50000000  0.50000000  1
  Sc  Sc1  1  0.50000000  0.00000000  0.00000000  1
  Al  Al2  1  0.00000000  0.00000000  0.18228700  1
  Al  Al3  1  0.00000000  0.00000000  0.81771300  1
  Al  Al4  1  0.50000000  0.50000000  0.68228700  1
  Al  Al5  1  0.50000000  0.50000000  0.31771300  1
  Al  Al6  1  0.00000000  0.16775900  0.50000000  1
  Al  Al7  1  0.00000000  0.83224100  0.50000000  1
  Al  Al8  1  0.50000000  0.66775900  0.00000000  1
  Al  Al9  1  0.50000000  0.33224100  0.00000000  1
  Al  Al10  1  0.00000000  0.50000000  0.15710900  1
  Al  Al11  1  0.00000000  0.50000000  0.84289100  1
  Al  Al12  1  0.50000000  0.00000000  0.65710900  1
  Al  Al13  1  0.50000000  0.00000000  0.34289100  1
  Fe  Fe14  1  0.25000000  0.25000000  0.25000000  1
  Fe  Fe15  1  0.75000000  0.75000000  0.75000000  1
  Fe  Fe16  1  0.75000000  0.75000000  0.25000000  1
  Fe  Fe17  1  0.25000000  0.25000000  0.75000000  1
  Fe  Fe18  1  0.25000000  0.75000000  0.75000000  1
  Fe  Fe19  1  0.75000000  0.25000000  0.25000000  1
  Fe  Fe20  1  0.75000000  0.25000000  0.75000000  1
  Fe  Fe21  1  0.25000000  0.75000000  0.25000000  1
  Fe  Fe22  1  0.00000000  0.24093300  0.00000000  1
  Fe  Fe23  1  0.00000000  0.75906700  0.00000000  1
  Fe  Fe24  1  0.50000000  0.74093300  0.50000000  1
  Fe  Fe25  1  0.50000000  0.25906700  0.50000000  1
