# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.57678818
_cell_length_b   12.75032539
_cell_length_c   49.05899723
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   95.85460585
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe
_chemical_formula_sum   Fe60
_cell_volume   1603.42046447
_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  0.320912  0.885156  0.307589  1
  Fe  Fe2  1  0.154431  0.241745  0.278925  1
  Fe  Fe3  1  0.228292  0.565487  0.293475  1
  Fe  Fe4  1  0.727941  0.065215  0.293243  1
  Fe  Fe5  1  0.821431  0.385424  0.307662  1
  Fe  Fe6  1  0.657267  0.741471  0.279156  1
  Fe  Fe7  1  0.667916  0.849638  0.353303  1
  Fe  Fe8  1  0.455647  0.206372  0.323786  1
  Fe  Fe9  1  0.562294  0.528077  0.338577  1
  Fe  Fe10  1  0.061550  0.027448  0.338399  1
  Fe  Fe11  1  0.173857  0.349449  0.353266  1
  Fe  Fe12  1  0.957218  0.706549  0.324169  1
  Fe  Fe13  1  0.989322  0.813722  0.398887  1
  Fe  Fe14  1  0.789995  0.169956  0.368654  1
  Fe  Fe15  1  0.903489  0.492088  0.383676  1
  Fe  Fe16  1  0.397070  0.991456  0.383931  1
  Fe  Fe17  1  0.520886  0.312327  0.398631  1
  Fe  Fe18  1  0.290593  0.670907  0.369410  1
  Fe  Fe19  1  0.158837  0.779958  0.445335  1
  Fe  Fe20  1  0.121605  0.134299  0.413832  1
  Fe  Fe21  1  0.231378  0.453209  0.428321  1
  Fe  Fe22  1  0.760680  0.957106  0.429426  1
  Fe  Fe23  1  0.907268  0.277007  0.443919  1
  Fe  Fe24  1  0.649090  0.634564  0.414800  1
  Fe  Fe25  1  0.735083  0.744456  0.490392  1
  Fe  Fe26  1  0.337663  0.099202  0.459980  1
  Fe  Fe27  1  0.540857  0.421272  0.474320  1
  Fe  Fe28  1  0.513573  0.922242  0.475929  1
  Fe  Fe29  1  0.709529  0.242613  0.490428  1
  Fe  Fe30  1  0.301833  0.603171  0.460804  1
  Fe  Fe31  1  0.363145  0.704526  0.534961  1
  Fe  Fe32  1  0.955449  0.065083  0.505338  1
  Fe  Fe33  1  0.151405  0.385455  0.519836  1
  Fe  Fe34  1  0.124121  0.886424  0.521445  1
  Fe  Fe35  1  0.327314  0.208495  0.535786  1
  Fe  Fe36  1  0.929894  0.563241  0.505374  1
  Fe  Fe37  1  0.015888  0.673133  0.580966  1
  Fe  Fe38  1  0.757710  0.030689  0.551846  1
  Fe  Fe39  1  0.904298  0.350591  0.566340  1
  Fe  Fe40  1  0.433600  0.854488  0.567444  1
  Fe  Fe41  1  0.543373  0.173398  0.581933  1
  Fe  Fe42  1  0.506141  0.527738  0.550430  1
  Fe  Fe43  1  0.374384  0.636789  0.626356  1
  Fe  Fe44  1  0.144092  0.995369  0.597135  1
  Fe  Fe45  1  0.267908  0.316240  0.611835  1
  Fe  Fe46  1  0.761489  0.815608  0.612089  1
  Fe  Fe47  1  0.874983  0.137740  0.627111  1
  Fe  Fe48  1  0.675656  0.493975  0.596879  1
  Fe  Fe49  1  0.707760  0.601148  0.671596  1
  Fe  Fe50  1  0.491121  0.958248  0.642499  1
  Fe  Fe51  1  0.603428  0.280248  0.657367  1
  Fe  Fe52  1  0.102684  0.779620  0.657189  1
  Fe  Fe53  1  0.209331  0.101324  0.671980  1
  Fe  Fe54  1  0.997062  0.458059  0.642462  1
  Fe  Fe55  1  0.007711  0.566225  0.716610  1
  Fe  Fe56  1  0.843546  0.922273  0.688103  1
  Fe  Fe57  1  0.937037  0.242482  0.702523  1
  Fe  Fe58  1  0.436685  0.742210  0.702291  1
  Fe  Fe59  1  0.510547  0.065952  0.716841  1
  Fe  Fe60  1  0.344066  0.422541  0.688176  1
