# generated using pymatgen
data_Sc(FeSi)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.44727189
_cell_length_b   7.06321311
_cell_length_c   4.98411146
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc(FeSi)2
_chemical_formula_sum   'Sc4 Fe8 Si8'
_cell_volume   262.17257852
_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  0.90577900  0.24829700  1
  Sc  Sc1  1  0.25000000  0.09422100  0.75170300  1
  Sc  Sc2  1  0.75000000  0.40577900  0.75170300  1
  Sc  Sc3  1  0.25000000  0.59422100  0.24829700  1
  Fe  Fe4  1  0.75000000  0.51126600  0.11594800  1
  Fe  Fe5  1  0.25000000  0.48873400  0.88405200  1
  Fe  Fe6  1  0.75000000  0.01126700  0.88405200  1
  Fe  Fe7  1  0.25000000  0.98873400  0.11594800  1
  Fe  Fe8  1  0.00000000  0.75000000  0.61711500  1
  Fe  Fe9  1  0.50000000  0.25000000  0.38288500  1
  Fe  Fe10  1  0.00000000  0.25000000  0.38288500  1
  Fe  Fe11  1  0.50000000  0.75000000  0.61711500  1
  Si  Si12  1  0.75000000  0.54985200  0.41706600  1
  Si  Si13  1  0.25000000  0.45014800  0.58293400  1
  Si  Si14  1  0.75000000  0.04985200  0.58293400  1
  Si  Si15  1  0.25000000  0.95014800  0.41706600  1
  Si  Si16  1  0.00000000  0.75000000  0.95051600  1
  Si  Si17  1  0.50000000  0.25000000  0.04948400  1
  Si  Si18  1  0.00000000  0.25000000  0.04948400  1
  Si  Si19  1  0.50000000  0.75000000  0.95051600  1
