# generated using pymatgen
data_FeSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.41772000
_cell_length_b   2.70050000
_cell_length_c   4.00000000
_cell_angle_alpha   90.00000000
_cell_angle_beta   107.05048000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeSi
_chemical_formula_sum   'Fe4 Si4'
_cell_volume   86.93162494
_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  0.12003000  0.00000000  0.80153000  1
  Fe  Fe1  1  0.87997000  0.00000000  0.19847000  1
  Fe  Fe2  1  0.62003000  0.50000000  0.80153000  1
  Fe  Fe3  1  0.37997000  0.50000000  0.19847000  1
  Si  Si4  1  0.37752000  0.00000000  0.69283000  1
  Si  Si5  1  0.62248000  0.00000000  0.30717000  1
  Si  Si6  1  0.87752000  0.50000000  0.69283000  1
  Si  Si7  1  0.12248000  0.50000000  0.30717000  1
