# generated using pymatgen
data_ScFeSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.53506689
_cell_length_b   4.05419883
_cell_length_c   6.66402371
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScFeSi
_chemical_formula_sum   'Sc4 Fe4 Si4'
_cell_volume   176.55971322
_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  0.75000000  0.51255300  0.80871600  1
  Sc  Sc1  1  0.25000000  0.98744700  0.30871600  1
  Sc  Sc2  1  0.75000000  0.01255300  0.69128400  1
  Sc  Sc3  1  0.25000000  0.48744700  0.19128400  1
  Fe  Fe4  1  0.25000000  0.65351600  0.56215300  1
  Fe  Fe5  1  0.25000000  0.15351600  0.93784700  1
  Fe  Fe6  1  0.75000000  0.84648400  0.06215300  1
  Fe  Fe7  1  0.75000000  0.34648400  0.43784700  1
  Si  Si8  1  0.25000000  0.79915400  0.89231900  1
  Si  Si9  1  0.25000000  0.29915400  0.60768100  1
  Si  Si10  1  0.75000000  0.20084600  0.10768100  1
  Si  Si11  1  0.75000000  0.70084600  0.39231900  1
