# generated using pymatgen
data_Fe4Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.46061000
_cell_length_b   3.97100000
_cell_length_c   14.22722000
_cell_angle_alpha   90.00000000
_cell_angle_beta   109.88745000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe4Si
_chemical_formula_sum   'Fe32 Si8'
_cell_volume   449.48684585
_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  0.74484000  0.00000000  0.65103000  1
  Fe  Fe1  1  0.25516000  0.00000000  0.34897000  1
  Fe  Fe2  1  0.24484000  0.50000000  0.65103000  1
  Fe  Fe3  1  0.75516000  0.50000000  0.34897000  1
  Fe  Fe4  1  0.24843000  0.00000000  0.54978000  1
  Fe  Fe5  1  0.75157000  0.00000000  0.45022000  1
  Fe  Fe6  1  0.74843000  0.50000000  0.54978000  1
  Fe  Fe7  1  0.25157000  0.50000000  0.45022000  1
  Fe  Fe8  1  0.00000000  0.00000000  0.00000000  1
  Fe  Fe9  1  0.50000000  0.50000000  0.00000000  1
  Fe  Fe10  1  0.75087000  0.00000000  0.04861000  1
  Fe  Fe11  1  0.24913000  0.00000000  0.95139000  1
  Fe  Fe12  1  0.25087000  0.50000000  0.04861000  1
  Fe  Fe13  1  0.74913000  0.50000000  0.95139000  1
  Fe  Fe14  1  0.75025000  0.00000000  0.24915000  1
  Fe  Fe15  1  0.24975000  0.00000000  0.75085000  1
  Fe  Fe16  1  0.25025000  0.50000000  0.24915000  1
  Fe  Fe17  1  0.74975000  0.50000000  0.75085000  1
  Fe  Fe18  1  0.50461000  0.00000000  0.10057000  1
  Fe  Fe19  1  0.49539000  0.00000000  0.89943000  1
  Fe  Fe20  1  0.00461000  0.50000000  0.10057000  1
  Fe  Fe21  1  0.99539000  0.50000000  0.89943000  1
  Fe  Fe22  1  0.50353000  0.00000000  0.30096000  1
  Fe  Fe23  1  0.49647000  0.00000000  0.69904000  1
  Fe  Fe24  1  0.00353000  0.50000000  0.30096000  1
  Fe  Fe25  1  0.99647000  0.50000000  0.69904000  1
  Fe  Fe26  1  0.99842000  0.00000000  0.20071000  1
  Fe  Fe27  1  0.00158000  0.00000000  0.79929000  1
  Fe  Fe28  1  0.49842000  0.50000000  0.20071000  1
  Fe  Fe29  1  0.50158000  0.50000000  0.79929000  1
  Fe  Fe30  1  0.00000000  0.50000000  0.50000000  1
  Fe  Fe31  1  0.50000000  0.00000000  0.50000000  1
  Si  Si32  1  0.25142000  0.00000000  0.15003000  1
  Si  Si33  1  0.74858000  0.00000000  0.84997000  1
  Si  Si34  1  0.75142000  0.50000000  0.15003000  1
  Si  Si35  1  0.24858000  0.50000000  0.84997000  1
  Si  Si36  1  0.00098000  0.00000000  0.39629000  1
  Si  Si37  1  0.99902000  0.00000000  0.60371000  1
  Si  Si38  1  0.50098000  0.50000000  0.39629000  1
  Si  Si39  1  0.49902000  0.50000000  0.60371000  1
