# generated using pymatgen
data_Sc2Fe3Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.07808623
_cell_length_b   4.97049653
_cell_length_c   8.49274870
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2Fe3Si
_chemical_formula_sum   'Sc8 Fe12 Si4'
_cell_volume   341.00169147
_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  0.00000000  0.33060700  0.30744500  1
  Sc  Sc1  1  0.00000000  0.66828100  0.18452700  1
  Sc  Sc2  1  0.00000000  0.66828100  0.81547300  1
  Sc  Sc3  1  0.00000000  0.33060700  0.69255500  1
  Sc  Sc4  1  0.50000000  0.83060700  0.30744500  1
  Sc  Sc5  1  0.50000000  0.16828100  0.18452700  1
  Sc  Sc6  1  0.50000000  0.16828100  0.81547300  1
  Sc  Sc7  1  0.50000000  0.83060700  0.69255500  1
  Fe  Fe8  1  0.00000000  0.83184800  0.50000000  1
  Fe  Fe9  1  0.75311500  0.41741900  0.00000000  1
  Fe  Fe10  1  0.24688500  0.41741900  0.00000000  1
  Fe  Fe11  1  0.00000000  0.17073600  0.00000000  1
  Fe  Fe12  1  0.00000000  0.99970900  0.24922200  1
  Fe  Fe13  1  0.00000000  0.99970900  0.75077800  1
  Fe  Fe14  1  0.50000000  0.33184800  0.50000000  1
  Fe  Fe15  1  0.25311500  0.91741900  0.00000000  1
  Fe  Fe16  1  0.74688500  0.91741900  0.00000000  1
  Fe  Fe17  1  0.50000000  0.67073600  0.00000000  1
  Fe  Fe18  1  0.50000000  0.49970900  0.24922200  1
  Fe  Fe19  1  0.50000000  0.49970900  0.75077800  1
  Si  Si20  1  0.24798200  0.58270800  0.50000000  1
  Si  Si21  1  0.75201800  0.58270800  0.50000000  1
  Si  Si22  1  0.74798200  0.08270800  0.50000000  1
  Si  Si23  1  0.25201800  0.08270800  0.50000000  1
