# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.82639230
_cell_length_b   4.70270190
_cell_length_c   43.04193823
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   105.32348169
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe
_chemical_formula_sum   Fe22
_cell_volume   551.761083354
_cell_formula_units_Z   22
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  0.966255  0.520920  0.349232  1
  Fe  Fe2  1  0.256826  0.095246  0.329337  1
  Fe  Fe3  1  0.368368  0.322937  0.392805  1
  Fe  Fe4  1  0.667250  0.918492  0.373093  1
  Fe  Fe5  1  0.767541  0.120509  0.435219  1
  Fe  Fe6  1  0.066376  0.717909  0.414611  1
  Fe  Fe7  1  0.167193  0.919649  0.477419  1
  Fe  Fe8  1  0.466797  0.518875  0.456539  1
  Fe  Fe9  1  0.566990  0.719131  0.519547  1
  Fe  Fe10  1  0.866859  0.318915  0.498563  1
  Fe  Fe11  1  0.966874  0.518795  0.561643  1
  Fe  Fe12  1  0.266813  0.118721  0.540637  1
  Fe  Fe13  1  0.366828  0.318601  0.603717  1
  Fe  Fe14  1  0.666697  0.918385  0.582733  1
  Fe  Fe15  1  0.766890  0.118640  0.645741  1
  Fe  Fe16  1  0.066494  0.717866  0.624861  1
  Fe  Fe17  1  0.167311  0.919606  0.687669  1
  Fe  Fe18  1  0.466146  0.517006  0.667061  1
  Fe  Fe19  1  0.566437  0.719024  0.729187  1
  Fe  Fe20  1  0.865319  0.314578  0.709475  1
  Fe  Fe21  1  -0.023139  0.542269  0.772943  1
  Fe  Fe22  1  0.267432  0.116595  0.753048  1
