# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.48228118
_cell_length_b   7.98488847
_cell_length_c   48.73224465
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe
_chemical_formula_sum   Fe56
_cell_volume   1355.03060892
_cell_formula_units_Z   56
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  Fe1  1  0.511447  0.602689  0.298246  1
  Fe  Fe2  1  0.511447  0.215297  0.266169  1
  Fe  Fe3  1  1.011447  0.412703  0.281247  1
  Fe  Fe4  1  0.011447  0.796111  0.315681  1
  Fe  Fe5  1  1.011447  0.715297  0.266169  1
  Fe  Fe6  1  1.011447  0.102689  0.298246  1
  Fe  Fe7  1  0.511447  0.296111  0.315681  1
  Fe  Fe8  1  0.511447  0.912703  0.281247  1
  Fe  Fe9  1  0.511447  0.388600  0.365405  1
  Fe  Fe10  1  0.511447  0.994377  0.331517  1
  Fe  Fe11  1  0.011447  0.190380  0.348861  1
  Fe  Fe12  1  0.011447  0.586241  0.381946  1
  Fe  Fe13  1  0.011447  0.494377  0.331517  1
  Fe  Fe14  1  0.011447  0.888600  0.365405  1
  Fe  Fe15  1  0.511447  0.086241  0.381946  1
  Fe  Fe16  1  0.511447  0.690380  0.348861  1
  Fe  Fe17  1  0.511447  0.180233  0.432030  1
  Fe  Fe18  1  0.511447  0.784019  0.398810  1
  Fe  Fe19  1  0.011447  0.982291  0.415349  1
  Fe  Fe20  1  0.011447  0.378398  0.448711  1
  Fe  Fe21  1  0.011447  0.284019  0.398810  1
  Fe  Fe22  1  0.011447  0.680233  0.432030  1
  Fe  Fe23  1  0.511447  0.878398  0.448711  1
  Fe  Fe24  1  0.511447  0.482291  0.415349  1
  Fe  Fe25  1  0.511447  0.972846  0.498649  1
  Fe  Fe26  1  0.511447  0.576557  0.465334  1
  Fe  Fe27  1  0.011447  0.774650  0.482002  1
  Fe  Fe28  1  1.011447  0.170939  0.515317  1
  Fe  Fe29  1  0.011447  0.076557  0.465334  1
  Fe  Fe30  1  0.011447  0.472846  0.498649  1
  Fe  Fe31  1  0.511447  0.670939  0.515317  1
  Fe  Fe32  1  0.511447  0.274650  0.482002  1
  Fe  Fe33  1  0.511447  0.765204  0.565303  1
  Fe  Fe34  1  0.511447  0.369098  0.531941  1
  Fe  Fe35  1  1.011447  0.567263  0.548621  1
  Fe  Fe36  1  1.011447  0.963477  0.581842  1
  Fe  Fe37  1  1.011447  0.869098  0.531941  1
  Fe  Fe38  1  1.011447  0.265204  0.565303  1
  Fe  Fe39  1  0.511447  0.463477  0.581842  1
  Fe  Fe40  1  0.511447  0.067263  0.548621  1
  Fe  Fe41  1  0.511447  0.557116  0.631790  1
  Fe  Fe42  1  0.511447  0.161255  0.598706  1
  Fe  Fe43  1  1.011447  0.358896  0.615247  1
  Fe  Fe44  1  1.011447  0.753119  0.649134  1
  Fe  Fe45  1  1.011447  0.661255  0.598706  1
  Fe  Fe46  1  1.011447  0.057116  0.631790  1
  Fe  Fe47  1  0.511447  0.253119  0.649134  1
  Fe  Fe48  1  0.511447  0.858896  0.615247  1
  Fe  Fe49  1  0.511447  0.334792  0.699404  1
  Fe  Fe50  1  0.511447  0.951385  0.664970  1
  Fe  Fe51  1  1.011447  0.144807  0.682406  1
  Fe  Fe52  1  1.011447  0.532198  0.714482  1
  Fe  Fe53  1  1.011447  0.451385  0.664970  1
  Fe  Fe54  1  1.011447  0.834792  0.699404  1
  Fe  Fe55  1  0.511447  0.032198  0.714482  1
  Fe  Fe56  1  0.511447  0.644807  0.682406  1
