# generated using pymatgen
data_Sc2Fe3Si5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.16135080
_cell_length_b   10.16135080
_cell_length_c   5.27543752
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2Fe3Si5
_chemical_formula_sum   'Sc8 Fe12 Si20'
_cell_volume   544.70501445
_cell_formula_units_Z   4
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  0.43194500  0.26378800  0.50000000  1
  Sc  Sc1  1  0.06805500  0.76378800  0.00000000  1
  Sc  Sc2  1  0.93194500  0.23621200  0.00000000  1
  Sc  Sc3  1  0.76378800  0.93194500  0.00000000  1
  Sc  Sc4  1  0.26378800  0.56805500  0.50000000  1
  Sc  Sc5  1  0.73621200  0.43194500  0.50000000  1
  Sc  Sc6  1  0.56805500  0.73621200  0.50000000  1
  Sc  Sc7  1  0.23621200  0.06805500  0.00000000  1
  Fe  Fe8  1  0.37745700  0.64338000  0.00000000  1
  Fe  Fe9  1  0.62254300  0.35662000  0.00000000  1
  Fe  Fe10  1  0.64338000  0.62254300  0.00000000  1
  Fe  Fe11  1  0.35662000  0.37745700  0.00000000  1
  Fe  Fe12  1  0.14338000  0.87745700  0.50000000  1
  Fe  Fe13  1  0.85662000  0.12254300  0.50000000  1
  Fe  Fe14  1  0.87745700  0.85662000  0.50000000  1
  Fe  Fe15  1  0.12254300  0.14338000  0.50000000  1
  Fe  Fe16  1  0.50000000  0.00000000  0.25000000  1
  Fe  Fe17  1  0.00000000  0.50000000  0.25000000  1
  Fe  Fe18  1  0.50000000  0.00000000  0.75000000  1
  Fe  Fe19  1  0.00000000  0.50000000  0.75000000  1
  Si  Si20  1  0.31853300  0.02810500  0.50000000  1
  Si  Si21  1  0.68146700  0.97189500  0.50000000  1
  Si  Si22  1  0.97189500  0.31853300  0.50000000  1
  Si  Si23  1  0.02810500  0.68146700  0.50000000  1
  Si  Si24  1  0.52810500  0.81853300  0.00000000  1
  Si  Si25  1  0.81853300  0.47189500  0.00000000  1
  Si  Si26  1  0.18146700  0.52810500  0.00000000  1
  Si  Si27  1  0.47189500  0.18146700  0.00000000  1
  Si  Si28  1  0.50000000  0.50000000  0.74633500  1
  Si  Si29  1  0.00000000  0.00000000  0.75366500  1
  Si  Si30  1  0.50000000  0.50000000  0.25366500  1
  Si  Si31  1  0.00000000  0.00000000  0.24633500  1
  Si  Si32  1  0.67803300  0.17803300  0.75000000  1
  Si  Si33  1  0.67803300  0.17803300  0.25000000  1
  Si  Si34  1  0.82196700  0.67803300  0.75000000  1
  Si  Si35  1  0.32196700  0.82196700  0.75000000  1
  Si  Si36  1  0.32196700  0.82196700  0.25000000  1
  Si  Si37  1  0.82196700  0.67803300  0.25000000  1
  Si  Si38  1  0.17803300  0.32196700  0.25000000  1
  Si  Si39  1  0.17803300  0.32196700  0.75000000  1
