# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.62989600
_cell_length_b   8.13647977
_cell_length_c   49.36742781
_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   1458.04601745
_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  1.003927  0.574331  0.305188  1
  Fe  Fe2  1  1.003927  0.175552  0.273795  1
  Fe  Fe3  1  0.503927  0.375403  0.288488  1
  Fe  Fe4  1  0.503927  0.776378  0.322040  1
  Fe  Fe5  1  0.503927  0.675552  0.273795  1
  Fe  Fe6  1  0.503927  0.074331  0.305188  1
  Fe  Fe7  1  1.003927  0.276378  0.322040  1
  Fe  Fe8  1  1.003927  0.875403  0.288488  1
  Fe  Fe9  1  1.003927  0.376290  0.371859  1
  Fe  Fe10  1  1.003927  0.975889  0.338281  1
  Fe  Fe11  1  0.503927  0.175860  0.355041  1
  Fe  Fe12  1  0.503927  0.576319  0.388486  1
  Fe  Fe13  1  0.503927  0.475889  0.338281  1
  Fe  Fe14  1  0.503927  0.876290  0.371859  1
  Fe  Fe15  1  1.003927  0.076319  0.388486  1
  Fe  Fe16  1  1.003927  0.675860  0.355041  1
  Fe  Fe17  1  1.003927  0.176966  0.438630  1
  Fe  Fe18  1  1.003927  0.776518  0.405203  1
  Fe  Fe19  1  0.503927  0.976789  0.421935  1
  Fe  Fe20  1  0.503927  0.377171  0.455339  1
  Fe  Fe21  1  0.503927  0.276518  0.405203  1
  Fe  Fe22  1  0.503927  0.676966  0.438630  1
  Fe  Fe23  1  1.003927  0.877171  0.455339  1
  Fe  Fe24  1  1.003927  0.476789  0.421935  1
  Fe  Fe25  1  1.003927  0.977805  0.505470  1
  Fe  Fe26  1  1.003927  0.577392  0.472053  1
  Fe  Fe27  1  0.503927  0.777598  0.488761  1
  Fe  Fe28  1  0.503927  0.178011  0.522178  1
  Fe  Fe29  1  0.503927  0.077392  0.472053  1
  Fe  Fe30  1  0.503927  0.477805  0.505470  1
  Fe  Fe31  1  1.003927  0.678011  0.522178  1
  Fe  Fe32  1  1.003927  0.277598  0.488761  1
  Fe  Fe33  1  1.003927  0.778614  0.572296  1
  Fe  Fe34  1  1.003927  0.378231  0.538892  1
  Fe  Fe35  1  0.503927  0.578437  0.555601  1
  Fe  Fe36  1  0.503927  0.978885  0.589028  1
  Fe  Fe37  1  0.503927  0.878231  0.538892  1
  Fe  Fe38  1  0.503927  0.278614  0.572296  1
  Fe  Fe39  1  1.003927  0.478885  0.589028  1
  Fe  Fe40  1  1.003927  0.078437  0.555601  1
  Fe  Fe41  1  1.003927  0.579543  0.639190  1
  Fe  Fe42  1  1.003927  0.179083  0.605745  1
  Fe  Fe43  1  0.503927  0.379113  0.622372  1
  Fe  Fe44  1  0.503927  0.779514  0.655950  1
  Fe  Fe45  1  0.503927  0.679083  0.605745  1
  Fe  Fe46  1  0.503927  0.079543  0.639190  1
  Fe  Fe47  1  1.003927  0.279514  0.655950  1
  Fe  Fe48  1  1.003927  0.879113  0.622372  1
  Fe  Fe49  1  1.003927  0.380000  0.705743  1
  Fe  Fe50  1  1.003927  0.979025  0.672192  1
  Fe  Fe51  1  0.503927  0.181071  0.689043  1
  Fe  Fe52  1  0.503927  0.579851  0.720436  1
  Fe  Fe53  1  0.503927  0.479025  0.672192  1
  Fe  Fe54  1  0.503927  0.880000  0.705743  1
  Fe  Fe55  1  1.003927  0.079851  0.720436  1
  Fe  Fe56  1  1.003927  0.681071  0.689043  1
