# generated using pymatgen
data_ScFeSi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.93455909
_cell_length_b   9.75600485
_cell_length_c   7.79334861
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScFeSi2
_chemical_formula_sum   'Sc12 Fe12 Si24'
_cell_volume   679.31192174
_cell_formula_units_Z   12
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  0.24705100  0.82549500  0.45158300  1
  Sc  Sc1  1  0.24705100  0.17450500  0.54841700  1
  Sc  Sc2  1  0.75294900  0.32549500  0.04841700  1
  Sc  Sc3  1  0.75294900  0.67450500  0.95158300  1
  Sc  Sc4  1  0.75294900  0.17450500  0.54841700  1
  Sc  Sc5  1  0.75294900  0.82549500  0.45158300  1
  Sc  Sc6  1  0.24705100  0.67450500  0.95158300  1
  Sc  Sc7  1  0.24705100  0.32549500  0.04841700  1
  Sc  Sc8  1  0.00000000  0.83098300  0.17786200  1
  Sc  Sc9  1  0.00000000  0.16901700  0.82213800  1
  Sc  Sc10  1  0.00000000  0.33098300  0.32213800  1
  Sc  Sc11  1  0.00000000  0.66901700  0.67786200  1
  Fe  Fe12  1  0.24812400  0.58606300  0.24070900  1
  Fe  Fe13  1  0.24812400  0.41393700  0.75929100  1
  Fe  Fe14  1  0.75187600  0.08606300  0.25929100  1
  Fe  Fe15  1  0.75187600  0.91393700  0.74070900  1
  Fe  Fe16  1  0.75187600  0.41393700  0.75929100  1
  Fe  Fe17  1  0.75187600  0.58606300  0.24070900  1
  Fe  Fe18  1  0.24812400  0.91393700  0.74070900  1
  Fe  Fe19  1  0.24812400  0.08606300  0.25929100  1
  Fe  Fe20  1  0.24675100  0.50000000  0.50000000  1
  Fe  Fe21  1  0.75324900  0.00000000  0.00000000  1
  Fe  Fe22  1  0.75324900  0.50000000  0.50000000  1
  Fe  Fe23  1  0.24675100  0.00000000  0.00000000  1
  Si  Si24  1  0.34743000  0.83995100  0.17904200  1
  Si  Si25  1  0.34743000  0.16004900  0.82095800  1
  Si  Si26  1  0.65257000  0.33995100  0.32095800  1
  Si  Si27  1  0.65257000  0.66004900  0.67904200  1
  Si  Si28  1  0.65257000  0.16004900  0.82095800  1
  Si  Si29  1  0.65257000  0.83995100  0.17904200  1
  Si  Si30  1  0.34743000  0.66004900  0.67904200  1
  Si  Si31  1  0.34743000  0.33995100  0.32095800  1
  Si  Si32  1  0.50000000  0.54236500  0.12733800  1
  Si  Si33  1  0.50000000  0.45763500  0.87266200  1
  Si  Si34  1  0.50000000  0.04236500  0.37266200  1
  Si  Si35  1  0.50000000  0.95763500  0.62733800  1
  Si  Si36  1  0.00000000  0.53698100  0.12168400  1
  Si  Si37  1  0.00000000  0.46301900  0.87831600  1
  Si  Si38  1  0.00000000  0.03698100  0.37831600  1
  Si  Si39  1  0.00000000  0.96301900  0.62168400  1
  Si  Si40  1  0.50000000  0.60717300  0.39837400  1
  Si  Si41  1  0.50000000  0.39282700  0.60162600  1
  Si  Si42  1  0.50000000  0.10717300  0.10162600  1
  Si  Si43  1  0.50000000  0.89282700  0.89837400  1
  Si  Si44  1  0.00000000  0.62153400  0.39419600  1
  Si  Si45  1  0.00000000  0.37846600  0.60580400  1
  Si  Si46  1  0.00000000  0.12153400  0.10580400  1
  Si  Si47  1  0.00000000  0.87846600  0.89419600  1
