# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.62989928
_cell_length_b   8.13647487
_cell_length_c   49.36742402
_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   1458.04634656
_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  0.503926  0.276379  0.322040  1
  Fe  Fe2  1  0.503926  0.875404  0.288488  1
  Fe  Fe3  1  1.003926  0.675553  0.273796  1
  Fe  Fe4  1  1.003926  0.074332  0.305188  1
  Fe  Fe5  1  1.003926  0.375404  0.288488  1
  Fe  Fe6  1  1.003926  0.776379  0.322040  1
  Fe  Fe7  1  0.503926  0.574332  0.305188  1
  Fe  Fe8  1  0.503926  0.175553  0.273796  1
  Fe  Fe9  1  0.503926  0.076320  0.388487  1
  Fe  Fe10  1  0.503926  0.675861  0.355041  1
  Fe  Fe11  1  1.003926  0.475890  0.338281  1
  Fe  Fe12  1  1.003926  0.876290  0.371859  1
  Fe  Fe13  1  1.003926  0.175861  0.355041  1
  Fe  Fe14  1  1.003926  0.576320  0.388487  1
  Fe  Fe15  1  0.503926  0.376290  0.371859  1
  Fe  Fe16  1  0.503926  0.975890  0.338281  1
  Fe  Fe17  1  0.503926  0.877172  0.455340  1
  Fe  Fe18  1  0.503926  0.476790  0.421935  1
  Fe  Fe19  1  1.003926  0.276518  0.405203  1
  Fe  Fe20  1  1.003926  0.676966  0.438631  1
  Fe  Fe21  1  1.003926  0.976790  0.421935  1
  Fe  Fe22  1  1.003926  0.377172  0.455340  1
  Fe  Fe23  1  0.503926  0.176966  0.438631  1
  Fe  Fe24  1  0.503926  0.776518  0.405203  1
  Fe  Fe25  1  0.503926  0.678011  0.522178  1
  Fe  Fe26  1  0.503926  0.277599  0.488761  1
  Fe  Fe27  1  1.003926  0.077392  0.472054  1
  Fe  Fe28  1  1.003926  0.477805  0.505470  1
  Fe  Fe29  1  1.003926  0.777599  0.488761  1
  Fe  Fe30  1  1.003926  0.178011  0.522178  1
  Fe  Fe31  1  0.503926  0.977805  0.505470  1
  Fe  Fe32  1  0.503926  0.577392  0.472054  1
  Fe  Fe33  1  0.503926  0.478885  0.589029  1
  Fe  Fe34  1  0.503926  0.078437  0.555601  1
  Fe  Fe35  1  1.003926  0.878232  0.538892  1
  Fe  Fe36  1  1.003926  0.278614  0.572296  1
  Fe  Fe37  1  1.003926  0.578437  0.555601  1
  Fe  Fe38  1  1.003926  0.978885  0.589029  1
  Fe  Fe39  1  0.503926  0.778614  0.572296  1
  Fe  Fe40  1  0.503926  0.378232  0.538892  1
  Fe  Fe41  1  0.503926  0.279514  0.655950  1
  Fe  Fe42  1  0.503926  0.879113  0.622372  1
  Fe  Fe43  1  1.003926  0.679084  0.605745  1
  Fe  Fe44  1  1.003926  0.079543  0.639190  1
  Fe  Fe45  1  1.003926  0.379113  0.622372  1
  Fe  Fe46  1  1.003926  0.779514  0.655950  1
  Fe  Fe47  1  0.503926  0.579543  0.639190  1
  Fe  Fe48  1  0.503926  0.179084  0.605745  1
  Fe  Fe49  1  0.503926  0.079851  0.720436  1
  Fe  Fe50  1  0.503926  0.681071  0.689043  1
  Fe  Fe51  1  1.003926  0.479025  0.672192  1
  Fe  Fe52  1  1.003926  0.880000  0.705743  1
  Fe  Fe53  1  1.003926  0.181071  0.689043  1
  Fe  Fe54  1  1.003926  0.579851  0.720436  1
  Fe  Fe55  1  0.503926  0.380000  0.705743  1
  Fe  Fe56  1  0.503926  0.979025  0.672192  1
