# generated using pymatgen
data_Sc(AlFe)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.48506098
_cell_length_b   6.49910509
_cell_length_c   6.49931315
_cell_angle_alpha   135.44491498
_cell_angle_beta   98.58295434
_cell_angle_gamma   97.94724552
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc(AlFe)6
_chemical_formula_sum   'Sc1 Al6 Fe6'
_cell_volume   177.82894031
_cell_formula_units_Z   1
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  1.0
  Al  Al1  1  0.34381673  0.34373266  -0.00013560  1.0
  Al  Al2  1  0.65618327  0.65626734  0.00013560  1.0
  Al  Al3  1  0.66619792  0.99994885  0.66639527  1.0
  Al  Al4  1  0.33380208  0.00005115  0.33360473  1.0
  Al  Al5  1  0.81476071  0.31467872  0.49996780  1.0
  Al  Al6  1  0.18523929  0.68532128  0.50003220  1.0
  Fe  Fe7  1  0.50000000  -0.00000000  0.00000000  1.0
  Fe  Fe8  1  0.50000000  0.50000000  0.50000000  1.0
  Fe  Fe9  1  0.00000000  -0.00000000  0.50000000  1.0
  Fe  Fe10  1  0.00000000  0.50000000  0.00000000  1.0
  Fe  Fe11  1  0.24063651  0.50004628  0.74065480  1.0
  Fe  Fe12  1  0.75936349  0.49995372  0.25934520  1.0