# generated using pymatgen
data_FeSi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.87645102
_cell_length_b   7.77288308
_cell_length_c   7.81776527
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeSi2
_chemical_formula_sum   'Fe16 Si32'
_cell_volume   600.15810550
_cell_formula_units_Z   16
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  0.19250400  0.00000000  0.81231200  1
  Fe  Fe1  1  0.30749600  0.00000000  0.31231200  1
  Fe  Fe2  1  0.69250400  0.00000000  0.68768800  1
  Fe  Fe3  1  0.80749600  0.00000000  0.18768800  1
  Fe  Fe4  1  0.50000000  0.21651700  0.50000000  1
  Fe  Fe5  1  0.50000000  0.28348300  0.00000000  1
  Fe  Fe6  1  0.50000000  0.78348300  0.50000000  1
  Fe  Fe7  1  0.50000000  0.71651700  0.00000000  1
  Fe  Fe8  1  0.69250400  0.50000000  0.81231200  1
  Fe  Fe9  1  0.80749600  0.50000000  0.31231200  1
  Fe  Fe10  1  0.19250400  0.50000000  0.68768800  1
  Fe  Fe11  1  0.30749600  0.50000000  0.18768800  1
  Fe  Fe12  1  0.00000000  0.71651700  0.50000000  1
  Fe  Fe13  1  0.00000000  0.78348300  0.00000000  1
  Fe  Fe14  1  0.00000000  0.28348300  0.50000000  1
  Fe  Fe15  1  0.00000000  0.21651700  0.00000000  1
  Si  Si16  1  0.54483400  0.12652800  0.22682800  1
  Si  Si17  1  0.45516600  0.37347200  0.72682800  1
  Si  Si18  1  0.54483400  0.37347200  0.27317200  1
  Si  Si19  1  0.45516600  0.12652800  0.77317200  1
  Si  Si20  1  0.45516600  0.87347200  0.77317200  1
  Si  Si21  1  0.54483400  0.62652800  0.27317200  1
  Si  Si22  1  0.45516600  0.62652800  0.72682800  1
  Si  Si23  1  0.54483400  0.87347200  0.22682800  1
  Si  Si24  1  0.27370600  0.12813800  0.04978300  1
  Si  Si25  1  0.22629400  0.87186200  0.54978300  1
  Si  Si26  1  0.77370600  0.87186200  0.45021700  1
  Si  Si27  1  0.72629400  0.12813800  0.95021700  1
  Si  Si28  1  0.72629400  0.87186200  0.95021700  1
  Si  Si29  1  0.77370600  0.12813800  0.45021700  1
  Si  Si30  1  0.22629400  0.12813800  0.54978300  1
  Si  Si31  1  0.27370600  0.87186200  0.04978300  1
  Si  Si32  1  0.04483400  0.62652800  0.22682800  1
  Si  Si33  1  0.95516600  0.87347200  0.72682800  1
  Si  Si34  1  0.04483400  0.87347200  0.27317200  1
  Si  Si35  1  0.95516600  0.62652800  0.77317200  1
  Si  Si36  1  0.95516600  0.37347200  0.77317200  1
  Si  Si37  1  0.04483400  0.12652800  0.27317200  1
  Si  Si38  1  0.95516600  0.12652800  0.72682800  1
  Si  Si39  1  0.04483400  0.37347200  0.22682800  1
  Si  Si40  1  0.77370600  0.62813800  0.04978300  1
  Si  Si41  1  0.72629400  0.37186200  0.54978300  1
  Si  Si42  1  0.27370600  0.37186200  0.45021700  1
  Si  Si43  1  0.22629400  0.62813800  0.95021700  1
  Si  Si44  1  0.22629400  0.37186200  0.95021700  1
  Si  Si45  1  0.27370600  0.62813800  0.45021700  1
  Si  Si46  1  0.72629400  0.62813800  0.54978300  1
  Si  Si47  1  0.77370600  0.37186200  0.04978300  1
