# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.82544737
_cell_length_b   6.38849275
_cell_length_c   42.18654700
_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   Fe30
_cell_volume   761.481940595
_cell_formula_units_Z   30
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  0.646776  1.039024  0.363277  1
  Fe  Fe2  1  0.146776  0.728791  0.348890  1
  Fe  Fe3  1  0.646776  0.417127  0.335133  1
  Fe  Fe4  1  0.146776  0.937326  0.409432  1
  Fe  Fe5  1  0.646776  0.637706  0.394739  1
  Fe  Fe6  1  0.146776  0.336971  0.381206  1
  Fe  Fe7  1  0.646776  0.837596  0.455442  1
  Fe  Fe8  1  0.146776  0.537266  0.440535  1
  Fe  Fe9  1  0.646776  0.234880  0.425802  1
  Fe  Fe10  1  0.146776  0.737874  0.501239  1
  Fe  Fe11  1  0.646776  0.437472  0.486174  1
  Fe  Fe12  1  0.146776  0.136561  0.471161  1
  Fe  Fe13  1  0.646776  0.638377  0.546933  1
  Fe  Fe14  1  0.146776  0.337990  0.531812  1
  Fe  Fe15  1  0.646776  1.037468  0.516698  1
  Fe  Fe16  1  0.146776  0.539048  0.592559  1
  Fe  Fe17  1  0.646776  0.238526  0.577445  1
  Fe  Fe18  1  0.146776  0.938138  0.562324  1
  Fe  Fe19  1  0.646776  0.439955  0.638096  1
  Fe  Fe20  1  0.146776  0.139043  0.623083  1
  Fe  Fe21  1  0.646776  0.838641  0.608018  1
  Fe  Fe22  1  0.146776  0.341635  0.683455  1
  Fe  Fe23  1  0.646776  1.039249  0.668722  1
  Fe  Fe24  1  0.146776  0.738920  0.653815  1
  Fe  Fe25  1  0.646776  0.239544  0.728051  1
  Fe  Fe26  1  0.146776  0.938810  0.714518  1
  Fe  Fe27  1  0.646776  0.639189  0.699825  1
  Fe  Fe28  1  0.146776  0.159388  0.774123  1
  Fe  Fe29  1  0.646776  0.847725  0.760367  1
  Fe  Fe30  1  0.146776  0.537492  0.745980  1
