# generated using pymatgen
data_Fe5Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   21.17989000
_cell_length_b   2.91450000
_cell_length_c   11.11472000
_cell_angle_alpha   90.00000000
_cell_angle_beta   23.24714000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe5Si
_chemical_formula_sum   'Fe20 Si4'
_cell_volume   270.80158664
_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
  Fe  Fe0  1  0.83500000  0.00000000  0.03992000  1
  Fe  Fe1  1  0.16500000  0.00000000  0.96008000  1
  Fe  Fe2  1  0.33500000  0.50000000  0.03992000  1
  Fe  Fe3  1  0.66500000  0.50000000  0.96008000  1
  Fe  Fe4  1  0.50152000  0.00000000  0.37131000  1
  Fe  Fe5  1  0.49848000  0.00000000  0.62869000  1
  Fe  Fe6  1  0.00152000  0.50000000  0.37131000  1
  Fe  Fe7  1  0.99848000  0.50000000  0.62869000  1
  Fe  Fe8  1  0.50108000  0.00000000  0.12228000  1
  Fe  Fe9  1  0.49892000  0.00000000  0.87772000  1
  Fe  Fe10  1  0.00108000  0.50000000  0.12228000  1
  Fe  Fe11  1  0.99892000  0.50000000  0.87772000  1
  Fe  Fe12  1  0.16614000  0.00000000  0.70817000  1
  Fe  Fe13  1  0.83386000  0.00000000  0.29183000  1
  Fe  Fe14  1  0.66614000  0.50000000  0.70817000  1
  Fe  Fe15  1  0.33386000  0.50000000  0.29183000  1
  Fe  Fe16  1  0.83394000  0.00000000  0.78887000  1
  Fe  Fe17  1  0.16606000  0.00000000  0.21113000  1
  Fe  Fe18  1  0.33394000  0.50000000  0.78887000  1
  Fe  Fe19  1  0.66606000  0.50000000  0.21113000  1
  Si  Si20  1  0.16625000  0.00000000  0.45921000  1
  Si  Si21  1  0.83375000  0.00000000  0.54079000  1
  Si  Si22  1  0.66625000  0.50000000  0.45921000  1
  Si  Si23  1  0.33375000  0.50000000  0.54079000  1
