# generated using pymatgen
data_Fe2Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.92500000
_cell_length_b   3.92500000
_cell_length_c   8.37500000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2Si
_chemical_formula_sum   'Fe8 Si4'
_cell_volume   129.02210937
_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  0.00000000  0.50000000  0.00000000  1
  Fe  Fe1  1  0.50000000  0.00000000  0.00000000  1
  Fe  Fe2  1  0.00000000  0.50000000  0.33859000  1
  Fe  Fe3  1  0.00000000  0.50000000  0.66141000  1
  Fe  Fe4  1  0.50000000  0.00000000  0.33859000  1
  Fe  Fe5  1  0.50000000  0.00000000  0.66141000  1
  Fe  Fe6  1  0.00000000  0.00000000  0.16666000  1
  Fe  Fe7  1  0.00000000  0.00000000  0.83334000  1
  Si  Si8  1  0.50000000  0.50000000  0.16918000  1
  Si  Si9  1  0.50000000  0.50000000  0.83082000  1
  Si  Si10  1  0.50000000  0.50000000  0.50000000  1
  Si  Si11  1  0.00000000  0.00000000  0.50000000  1
