# generated using pymatgen
data_Fe2Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.92400000
_cell_length_b   11.83728000
_cell_length_c   5.55400000
_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   'Fe16 Si8'
_cell_volume   257.98044924
_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  0.83647000  0.99341000  1
  Fe  Fe1  1  0.00000000  0.16353000  0.00659000  1
  Fe  Fe2  1  0.00000000  0.16353000  0.49341000  1
  Fe  Fe3  1  0.00000000  0.83647000  0.50659000  1
  Fe  Fe4  1  0.50000000  0.33647000  0.99341000  1
  Fe  Fe5  1  0.50000000  0.66353000  0.00659000  1
  Fe  Fe6  1  0.50000000  0.66353000  0.49341000  1
  Fe  Fe7  1  0.50000000  0.33647000  0.50659000  1
  Fe  Fe8  1  0.00000000  0.33324000  0.25000000  1
  Fe  Fe9  1  0.00000000  0.66676000  0.75000000  1
  Fe  Fe10  1  0.50000000  0.83324000  0.25000000  1
  Fe  Fe11  1  0.50000000  0.16676000  0.75000000  1
  Fe  Fe12  1  0.00000000  0.50000000  0.00000000  1
  Fe  Fe13  1  0.00000000  0.50000000  0.50000000  1
  Fe  Fe14  1  0.50000000  0.00000000  0.00000000  1
  Fe  Fe15  1  0.50000000  0.00000000  0.50000000  1
  Si  Si16  1  0.00000000  0.99537000  0.25000000  1
  Si  Si17  1  0.00000000  0.00463000  0.75000000  1
  Si  Si18  1  0.50000000  0.49537000  0.25000000  1
  Si  Si19  1  0.50000000  0.50463000  0.75000000  1
  Si  Si20  1  0.00000000  0.67168000  0.25000000  1
  Si  Si21  1  0.00000000  0.32832000  0.75000000  1
  Si  Si22  1  0.50000000  0.17168000  0.25000000  1
  Si  Si23  1  0.50000000  0.82832000  0.75000000  1
