# generated using pymatgen
data_Sc3Al12FeIr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.59935511
_cell_length_b   8.59935601
_cell_length_c   9.24560655
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000788
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc3Al12FeIr3
_chemical_formula_sum   'Sc6 Al24 Fe2 Ir6'
_cell_volume   592.10375870
_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  0.80551424  0.19448576  0.75000000  1.0
  Sc  Sc1  1  0.19448576  0.80551424  0.25000000  1.0
  Sc  Sc2  1  0.38897251  0.19448576  0.75000000  1.0
  Sc  Sc3  1  0.61102749  0.80551424  0.25000000  1.0
  Sc  Sc4  1  0.80551424  0.61102749  0.75000000  1.0
  Sc  Sc5  1  0.19448576  0.38897251  0.25000000  1.0
  Al  Al6  1  0.66666700  0.33333300  0.96343171  1.0
  Al  Al7  1  0.33333300  0.66666700  0.03656829  1.0
  Al  Al8  1  0.33333300  0.66666700  0.46343171  1.0
  Al  Al9  1  0.66666700  0.33333300  0.53656829  1.0
  Al  Al10  1  0.83970341  0.16029659  0.42368543  1.0
  Al  Al11  1  0.16029659  0.83970341  0.57631457  1.0
  Al  Al12  1  0.32059417  0.16029659  0.42368543  1.0
  Al  Al13  1  0.16029659  0.83970341  0.92368543  1.0
  Al  Al14  1  0.67940583  0.83970341  0.57631457  1.0
  Al  Al15  1  0.83970341  0.16029659  0.07631457  1.0
  Al  Al16  1  0.83970341  0.67940583  0.42368543  1.0
  Al  Al17  1  0.67940583  0.83970341  0.92368543  1.0
  Al  Al18  1  0.16029659  0.32059417  0.57631457  1.0
  Al  Al19  1  0.32059417  0.16029659  0.07631457  1.0
  Al  Al20  1  0.16029659  0.32059417  0.92368543  1.0
  Al  Al21  1  0.83970341  0.67940583  0.07631457  1.0
  Al  Al22  1  0.43855096  0.56144904  0.75000000  1.0
  Al  Al23  1  0.56144904  0.43855096  0.25000000  1.0
  Al  Al24  1  0.12289708  0.56144904  0.75000000  1.0
  Al  Al25  1  0.87710292  0.43855096  0.25000000  1.0
  Al  Al26  1  0.43855096  0.87710292  0.75000000  1.0
  Al  Al27  1  0.56144904  0.12289708  0.25000000  1.0
  Al  Al28  1  0.00000000  0.00000000  0.75000000  1.0
  Al  Al29  1  0.00000000  0.00000000  0.25000000  1.0
  Fe  Fe30  1  0.00000000  0.00000000  0.00000000  1.0
  Fe  Fe31  1  0.00000000  0.00000000  0.50000000  1.0
  Ir  Ir32  1  0.50000000  0.50000000  0.00000000  1.0
  Ir  Ir33  1  0.00000000  0.50000000  0.00000000  1.0
  Ir  Ir34  1  0.50000000  0.50000000  0.50000000  1.0
  Ir  Ir35  1  0.50000000  0.00000000  0.00000000  1.0
  Ir  Ir36  1  0.00000000  0.50000000  0.50000000  1.0
  Ir  Ir37  1  0.50000000  0.00000000  0.50000000  1.0