# generated using pymatgen
data_Fe3Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.33506000
_cell_length_b   3.96500000
_cell_length_c   5.55100000
_cell_angle_alpha   90.00000000
_cell_angle_beta   80.78181000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe3Si
_chemical_formula_sum   'Fe24 Si8'
_cell_volume   354.88684926
_cell_formula_units_Z   8
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
  Fe  Fe0  1  0.81248000  0.00000000  0.21987000  1
  Fe  Fe1  1  0.18752000  0.00000000  0.78013000  1
  Fe  Fe2  1  0.31248000  0.50000000  0.21987000  1
  Fe  Fe3  1  0.68752000  0.50000000  0.78013000  1
  Fe  Fe4  1  0.06315000  0.00000000  0.59164000  1
  Fe  Fe5  1  0.93685000  0.00000000  0.40836000  1
  Fe  Fe6  1  0.56315000  0.50000000  0.59164000  1
  Fe  Fe7  1  0.43685000  0.50000000  0.40836000  1
  Fe  Fe8  1  0.68923000  0.00000000  0.52423000  1
  Fe  Fe9  1  0.31077000  0.00000000  0.47577000  1
  Fe  Fe10  1  0.18923000  0.50000000  0.52423000  1
  Fe  Fe11  1  0.81077000  0.50000000  0.47577000  1
  Fe  Fe12  1  0.56165000  0.00000000  0.33905000  1
  Fe  Fe13  1  0.43835000  0.00000000  0.66095000  1
  Fe  Fe14  1  0.06165000  0.50000000  0.33905000  1
  Fe  Fe15  1  0.93835000  0.50000000  0.66095000  1
  Fe  Fe16  1  0.31199000  0.00000000  0.96704000  1
  Fe  Fe17  1  0.68801000  0.00000000  0.03296000  1
  Fe  Fe18  1  0.81199000  0.50000000  0.96704000  1
  Fe  Fe19  1  0.18801000  0.50000000  0.03296000  1
  Fe  Fe20  1  0.06190000  0.00000000  0.08929000  1
  Fe  Fe21  1  0.93810000  0.00000000  0.91071000  1
  Fe  Fe22  1  0.56190000  0.50000000  0.08929000  1
  Fe  Fe23  1  0.43810000  0.50000000  0.91071000  1
  Si  Si24  1  0.81223000  0.00000000  0.72092000  1
  Si  Si25  1  0.18777000  0.00000000  0.27908000  1
  Si  Si26  1  0.31223000  0.50000000  0.72092000  1
  Si  Si27  1  0.68777000  0.50000000  0.27908000  1
  Si  Si28  1  0.42967000  0.00000000  0.17067000  1
  Si  Si29  1  0.57033000  0.00000000  0.82933000  1
  Si  Si30  1  0.92967000  0.50000000  0.17067000  1
  Si  Si31  1  0.07033000  0.50000000  0.82933000  1
