# generated using pymatgen
data_Sc4Al7Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.33662715
_cell_length_b   5.33662651
_cell_length_c   8.48447170
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999772
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc4Al7Fe
_chemical_formula_sum   'Sc4 Al7 Fe1'
_cell_volume   209.26139566
_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  0.33333300  0.66666700  0.43967831  1.0
  Sc  Sc1  1  0.66666700  0.33333300  0.56032169  1.0
  Sc  Sc2  1  0.66666700  0.33333300  0.93607352  1.0
  Sc  Sc3  1  0.33333300  0.66666700  0.06392648  1.0
  Al  Al4  1  0.00000000  0.00000000  0.50000000  1.0
  Al  Al5  1  0.83150731  0.16849269  0.23996388  1.0
  Al  Al6  1  0.83150731  0.66301561  0.23996388  1.0
  Al  Al7  1  0.33698439  0.16849269  0.23996388  1.0
  Al  Al8  1  0.16849269  0.83150731  0.76003612  1.0
  Al  Al9  1  0.16849269  0.33698439  0.76003612  1.0
  Al  Al10  1  0.66301561  0.83150731  0.76003612  1.0
  Fe  Fe11  1  0.00000000  0.00000000  0.00000000  1.0