# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.00974250
_cell_length_b   4.13562895
_cell_length_c   48.34364429
_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   Fe34
_cell_volume   801.67332938
_cell_formula_units_Z   34
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  0.753766  0.220457  0.274504  1
  Fe  Fe2  1  0.253766  0.815663  0.274504  1
  Fe  Fe3  1  0.753766  0.714192  0.302680  1
  Fe  Fe4  1  0.253766  0.321928  0.302680  1
  Fe  Fe5  1  0.753766  0.207355  0.328417  1
  Fe  Fe6  1  0.253766  0.828765  0.328417  1
  Fe  Fe7  1  0.753766  0.705714  0.354864  1
  Fe  Fe8  1  0.253766  0.330407  0.354864  1
  Fe  Fe9  1  0.753766  0.204978  0.381071  1
  Fe  Fe10  1  0.253766  0.831143  0.381071  1
  Fe  Fe11  1  0.753766  0.704794  0.407358  1
  Fe  Fe12  1  0.253766  0.331327  0.407358  1
  Fe  Fe13  1  0.753766  0.204707  0.433619  1
  Fe  Fe14  1  0.253766  0.831413  0.433619  1
  Fe  Fe15  1  0.753766  0.704685  0.459889  1
  Fe  Fe16  1  0.253766  0.331435  0.459889  1
  Fe  Fe17  1  0.753766  0.204678  0.486156  1
  Fe  Fe18  1  0.253766  0.831443  0.486156  1
  Fe  Fe19  1  0.753766  0.704685  0.512423  1
  Fe  Fe20  1  0.253766  0.331435  0.512423  1
  Fe  Fe21  1  0.753766  0.204707  0.538692  1
  Fe  Fe22  1  0.253766  0.831413  0.538692  1
  Fe  Fe23  1  0.753766  0.704794  0.564954  1
  Fe  Fe24  1  0.253766  0.331327  0.564954  1
  Fe  Fe25  1  0.753766  0.204978  0.591241  1
  Fe  Fe26  1  0.253766  0.831143  0.591241  1
  Fe  Fe27  1  0.753766  0.705714  0.617447  1
  Fe  Fe28  1  0.253766  0.330407  0.617447  1
  Fe  Fe29  1  0.753766  0.207355  0.643894  1
  Fe  Fe30  1  0.253766  0.828765  0.643894  1
  Fe  Fe31  1  0.753766  0.714192  0.669632  1
  Fe  Fe32  1  0.253766  0.321928  0.669632  1
  Fe  Fe33  1  0.753766  0.220457  0.697808  1
  Fe  Fe34  1  0.253766  0.815663  0.697808  1
