# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.48123017
_cell_length_b   12.89602279
_cell_length_c   46.48909443
_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   Fe60
_cell_volume   1487.55808381
_cell_formula_units_Z   60
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  0.748533  0.375317  0.288748  1
  Fe  Fe2  1  0.748533  0.674268  0.318911  1
  Fe  Fe3  1  0.248533  0.024015  0.303451  1
  Fe  Fe4  1  0.248533  0.545633  0.288385  1
  Fe  Fe5  1  0.248533  0.842511  0.318334  1
  Fe  Fe6  1  0.748533  0.193677  0.303605  1
  Fe  Fe7  1  0.248533  0.323399  0.333642  1
  Fe  Fe8  1  0.248533  0.618809  0.362315  1
  Fe  Fe9  1  0.748533  0.971936  0.348310  1
  Fe  Fe10  1  0.748533  0.489392  0.332784  1
  Fe  Fe11  1  0.748533  0.786100  0.362299  1
  Fe  Fe12  1  0.248533  0.137987  0.347571  1
  Fe  Fe13  1  0.748533  0.267298  0.376839  1
  Fe  Fe14  1  0.748533  0.563612  0.405702  1
  Fe  Fe15  1  0.248533  0.915496  0.391416  1
  Fe  Fe16  1  0.248533  0.434293  0.376676  1
  Fe  Fe17  1  0.248533  0.730151  0.405735  1
  Fe  Fe18  1  0.748533  0.082539  0.391326  1
  Fe  Fe19  1  0.248533  0.211894  0.420204  1
  Fe  Fe20  1  0.248533  0.507940  0.449049  1
  Fe  Fe21  1  0.748533  0.859732  0.434658  1
  Fe  Fe22  1  0.748533  0.378454  0.420165  1
  Fe  Fe23  1  0.748533  0.674458  0.449146  1
  Fe  Fe24  1  0.248533  0.026457  0.434721  1
  Fe  Fe25  1  0.748533  0.156073  0.463514  1
  Fe  Fe26  1  0.748533  0.452207  0.492406  1
  Fe  Fe27  1  0.248533  0.804087  0.477965  1
  Fe  Fe28  1  0.248533  0.322660  0.463589  1
  Fe  Fe29  1  0.248533  0.618730  0.492509  1
  Fe  Fe30  1  0.748533  0.970659  0.478068  1
  Fe  Fe31  1  0.248533  0.100314  0.506852  1
  Fe  Fe32  1  0.248533  0.396384  0.535772  1
  Fe  Fe33  1  0.748533  0.748385  0.521293  1
  Fe  Fe34  1  0.748533  0.266836  0.506955  1
  Fe  Fe35  1  0.748533  0.562970  0.535847  1
  Fe  Fe36  1  0.248533  0.914957  0.521396  1
  Fe  Fe37  1  0.748533  0.044586  0.550215  1
  Fe  Fe38  1  0.748533  0.340589  0.579196  1
  Fe  Fe39  1  0.248533  0.692587  0.564640  1
  Fe  Fe40  1  0.248533  0.211104  0.550312  1
  Fe  Fe41  1  0.248533  0.507149  0.579157  1
  Fe  Fe42  1  0.748533  0.859312  0.564703  1
  Fe  Fe43  1  0.248533  0.988893  0.593626  1
  Fe  Fe44  1  0.248533  0.284750  0.622685  1
  Fe  Fe45  1  0.748533  0.636505  0.608035  1
  Fe  Fe46  1  0.748533  0.155432  0.593659  1
  Fe  Fe47  1  0.748533  0.451746  0.622522  1
  Fe  Fe48  1  0.248533  0.803548  0.607945  1
  Fe  Fe49  1  0.748533  0.932944  0.637062  1
  Fe  Fe50  1  0.748533  0.229652  0.666577  1
  Fe  Fe51  1  0.248533  0.581057  0.651790  1
  Fe  Fe52  1  0.248533  0.100234  0.637046  1
  Fe  Fe53  1  0.248533  0.395644  0.665719  1
  Fe  Fe54  1  0.748533  0.747108  0.651051  1
  Fe  Fe55  1  0.248533  0.876532  0.681027  1
  Fe  Fe56  1  0.248533  0.173410  0.710976  1
  Fe  Fe57  1  0.748533  0.525366  0.695756  1
  Fe  Fe58  1  0.748533  0.044776  0.680450  1
  Fe  Fe59  1  0.748533  0.343726  0.710613  1
  Fe  Fe60  1  0.248533  0.695028  0.695910  1
