# generated using pymatgen
data_Sc3Fe2Si3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.94716531
_cell_length_b   9.92779310
_cell_length_c   12.89573845
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc3Fe2Si3
_chemical_formula_sum   'Sc12 Fe8 Si12'
_cell_volume   505.34066700
_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  0.36112400  0.75000000  1
  Sc  Sc1  1  0.00000000  0.08051100  0.61269000  1
  Sc  Sc2  1  0.00000000  0.08051100  0.88731000  1
  Sc  Sc3  1  0.50000000  0.41948900  0.11269000  1
  Sc  Sc4  1  0.50000000  0.13887600  0.25000000  1
  Sc  Sc5  1  0.50000000  0.41948900  0.38731000  1
  Sc  Sc6  1  0.50000000  0.86112400  0.75000000  1
  Sc  Sc7  1  0.50000000  0.58051100  0.61269000  1
  Sc  Sc8  1  0.50000000  0.58051100  0.88731000  1
  Sc  Sc9  1  0.00000000  0.91948900  0.11269000  1
  Sc  Sc10  1  0.00000000  0.63887600  0.25000000  1
  Sc  Sc11  1  0.00000000  0.91948900  0.38731000  1
  Fe  Fe12  1  0.00000000  0.21430300  0.08214200  1
  Fe  Fe13  1  0.50000000  0.28569700  0.58214200  1
  Fe  Fe14  1  0.00000000  0.21430300  0.41785800  1
  Fe  Fe15  1  0.50000000  0.28569700  0.91785800  1
  Fe  Fe16  1  0.50000000  0.71430300  0.08214200  1
  Fe  Fe17  1  0.00000000  0.78569700  0.58214200  1
  Fe  Fe18  1  0.50000000  0.71430300  0.41785800  1
  Fe  Fe19  1  0.00000000  0.78569700  0.91785800  1
  Si  Si20  1  0.00000000  0.32858200  0.25000000  1
  Si  Si21  1  0.50000000  0.11686900  0.45940100  1
  Si  Si22  1  0.50000000  0.11686900  0.04059900  1
  Si  Si23  1  0.00000000  0.38313100  0.54059900  1
  Si  Si24  1  0.50000000  0.17141800  0.75000000  1
  Si  Si25  1  0.00000000  0.38313100  0.95940100  1
  Si  Si26  1  0.50000000  0.82858200  0.25000000  1
  Si  Si27  1  0.00000000  0.61686900  0.45940100  1
  Si  Si28  1  0.00000000  0.61686900  0.04059900  1
  Si  Si29  1  0.50000000  0.88313100  0.54059900  1
  Si  Si30  1  0.00000000  0.67141800  0.75000000  1
  Si  Si31  1  0.50000000  0.88313100  0.95940100  1
