# generated using pymatgen
data_Fe2Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.87956000
_cell_length_b   5.56398000
_cell_length_c   6.22000000
_cell_angle_alpha   90.00000000
_cell_angle_beta   108.89731000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2Si
_chemical_formula_sum   'Fe16 Si8'
_cell_volume   257.99733140
_cell_formula_units_Z   8
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  0.66542000  0.25288000  0.17107000  1
  Fe  Fe1  1  0.33458000  0.74712000  0.82893000  1
  Fe  Fe2  1  0.33458000  0.25288000  0.82893000  1
  Fe  Fe3  1  0.66542000  0.74712000  0.17107000  1
  Fe  Fe4  1  0.16542000  0.75288000  0.17107000  1
  Fe  Fe5  1  0.83458000  0.24712000  0.82893000  1
  Fe  Fe6  1  0.83458000  0.75288000  0.82893000  1
  Fe  Fe7  1  0.16542000  0.24712000  0.17107000  1
  Fe  Fe8  1  0.41566000  0.00000000  0.16730000  1
  Fe  Fe9  1  0.58434000  0.00000000  0.83270000  1
  Fe  Fe10  1  0.91566000  0.50000000  0.16730000  1
  Fe  Fe11  1  0.08434000  0.50000000  0.83270000  1
  Fe  Fe12  1  -0.00000000  0.76130000  0.50000000  1
  Fe  Fe13  1  -0.00000000  0.23870000  0.50000000  1
  Fe  Fe14  1  0.50000000  0.26130000  0.50000000  1
  Fe  Fe15  1  0.50000000  0.73870000  0.50000000  1
  Si  Si16  1  0.09005000  0.00000000  0.83812000  1
  Si  Si17  1  0.90995000  0.00000000  0.16188000  1
  Si  Si18  1  0.59005000  0.50000000  0.83812000  1
  Si  Si19  1  0.40995000  0.50000000  0.16188000  1
  Si  Si20  1  0.73968000  0.00000000  0.49882000  1
  Si  Si21  1  0.26032000  0.00000000  0.50118000  1
  Si  Si22  1  0.23968000  0.50000000  0.49882000  1
  Si  Si23  1  0.76032000  0.50000000  0.50118000  1
