# generated using pymatgen
data_Fe3Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.52600000
_cell_length_b   7.94100000
_cell_length_c   7.91800000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe3Si
_chemical_formula_sum   'Fe24 Si8'
_cell_volume   347.45740679
_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  0.00000000  0.50000000  0.00000000  1
  Fe  Fe1  1  0.00000000  0.50000000  0.50000000  1
  Fe  Fe2  1  0.50000000  0.00000000  0.00000000  1
  Fe  Fe3  1  0.50000000  0.00000000  0.50000000  1
  Fe  Fe4  1  0.25000000  0.25000000  0.00000000  1
  Fe  Fe5  1  0.75000000  0.75000000  0.00000000  1
  Fe  Fe6  1  0.75000000  0.75000000  0.50000000  1
  Fe  Fe7  1  0.25000000  0.25000000  0.50000000  1
  Fe  Fe8  1  0.75000000  0.25000000  0.50000000  1
  Fe  Fe9  1  0.25000000  0.75000000  0.50000000  1
  Fe  Fe10  1  0.25000000  0.75000000  0.00000000  1
  Fe  Fe11  1  0.75000000  0.25000000  0.00000000  1
  Fe  Fe12  1  0.00000000  0.24594000  0.25000000  1
  Fe  Fe13  1  0.00000000  0.75406000  0.75000000  1
  Fe  Fe14  1  0.50000000  0.74594000  0.25000000  1
  Fe  Fe15  1  0.50000000  0.25406000  0.75000000  1
  Fe  Fe16  1  0.25555000  0.49459000  0.25000000  1
  Fe  Fe17  1  0.74445000  0.50541000  0.75000000  1
  Fe  Fe18  1  0.74445000  0.49459000  0.25000000  1
  Fe  Fe19  1  0.25555000  0.50541000  0.75000000  1
  Fe  Fe20  1  0.75555000  0.99459000  0.25000000  1
  Fe  Fe21  1  0.24445000  0.00541000  0.75000000  1
  Fe  Fe22  1  0.24445000  0.99459000  0.25000000  1
  Fe  Fe23  1  0.75555000  0.00541000  0.75000000  1
  Si  Si24  1  0.00000000  0.00000000  0.00000000  1
  Si  Si25  1  0.00000000  0.00000000  0.50000000  1
  Si  Si26  1  0.50000000  0.50000000  0.00000000  1
  Si  Si27  1  0.50000000  0.50000000  0.50000000  1
  Si  Si28  1  0.00000000  0.73795000  0.25000000  1
  Si  Si29  1  0.00000000  0.26205000  0.75000000  1
  Si  Si30  1  0.50000000  0.23795000  0.25000000  1
  Si  Si31  1  0.50000000  0.76205000  0.75000000  1
