# generated using pymatgen
data_Fe6Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.95065000
_cell_length_b   19.89147000
_cell_length_c   3.95127000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe6Si
_chemical_formula_sum   'Fe24 Si4'
_cell_volume   310.50753400
_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  0.28688000  0.00000000  1
  Fe  Fe1  1  0.00000000  0.71312000  0.00000000  1
  Fe  Fe2  1  0.50000000  0.78688000  0.00000000  1
  Fe  Fe3  1  0.50000000  0.21312000  0.00000000  1
  Fe  Fe4  1  0.00000000  0.14224000  0.00000000  1
  Fe  Fe5  1  0.00000000  0.85776000  0.00000000  1
  Fe  Fe6  1  0.50000000  0.64224000  0.00000000  1
  Fe  Fe7  1  0.50000000  0.35776000  0.00000000  1
  Fe  Fe8  1  0.00000000  0.21397000  0.50000000  1
  Fe  Fe9  1  0.00000000  0.78603000  0.50000000  1
  Fe  Fe10  1  0.50000000  0.71397000  0.50000000  1
  Fe  Fe11  1  0.50000000  0.28603000  0.50000000  1
  Fe  Fe12  1  0.00000000  0.92847000  0.50000000  1
  Fe  Fe13  1  0.00000000  0.07153000  0.50000000  1
  Fe  Fe14  1  0.50000000  0.42847000  0.50000000  1
  Fe  Fe15  1  0.50000000  0.57153000  0.50000000  1
  Fe  Fe16  1  0.00000000  0.35808000  0.50000000  1
  Fe  Fe17  1  0.00000000  0.64192000  0.50000000  1
  Fe  Fe18  1  0.50000000  0.85808000  0.50000000  1
  Fe  Fe19  1  0.50000000  0.14192000  0.50000000  1
  Fe  Fe20  1  0.00000000  0.00000000  0.00000000  1
  Fe  Fe21  1  0.50000000  0.50000000  0.00000000  1
  Fe  Fe22  1  0.50000000  0.00000000  0.50000000  1
  Fe  Fe23  1  0.00000000  0.50000000  0.50000000  1
  Si  Si24  1  0.00000000  0.57060000  0.00000000  1
  Si  Si25  1  0.00000000  0.42940000  0.00000000  1
  Si  Si26  1  0.50000000  0.07060000  0.00000000  1
  Si  Si27  1  0.50000000  0.92940000  0.00000000  1
