# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.03314674
_cell_length_b   4.03314674
_cell_length_c   47.79002086
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe
_chemical_formula_sum   Fe26
_cell_volume   673.218277255
_cell_formula_units_Z   26
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  0.167573  0.583938  0.302256  1
  Fe  Fe2  1  0.500907  0.250604  0.285346  1
  Fe  Fe3  1  0.500907  0.250604  0.336604  1
  Fe  Fe4  1  0.834240  0.917271  0.318224  1
  Fe  Fe5  1  0.834240  0.917271  0.370514  1
  Fe  Fe6  1  0.167573  0.583938  0.353511  1
  Fe  Fe7  1  0.167573  0.583938  0.405244  1
  Fe  Fe8  1  0.500907  0.250604  0.388117  1
  Fe  Fe9  1  0.500907  0.250604  0.439809  1
  Fe  Fe10  1  0.834240  0.917271  0.422452  1
  Fe  Fe11  1  0.834240  0.917271  0.474276  1
  Fe  Fe12  1  0.167573  0.583938  0.457018  1
  Fe  Fe13  1  0.167573  0.583938  0.508792  1
  Fe  Fe14  1  0.500907  0.250604  0.491562  1
  Fe  Fe15  1  0.500907  0.250604  0.543336  1
  Fe  Fe16  1  0.834240  0.917271  0.526078  1
  Fe  Fe17  1  0.834240  0.917271  0.577903  1
  Fe  Fe18  1  0.167573  0.583938  0.560546  1
  Fe  Fe19  1  0.167573  0.583938  0.612237  1
  Fe  Fe20  1  0.500907  0.250604  0.595111  1
  Fe  Fe21  1  0.500907  0.250604  0.646844  1
  Fe  Fe22  1  0.834240  0.917271  0.629841  1
  Fe  Fe23  1  0.834240  0.917271  0.682131  1
  Fe  Fe24  1  0.167573  0.583938  0.663751  1
  Fe  Fe25  1  0.167573  0.583938  0.715008  1
  Fe  Fe26  1  0.500907  0.250604  0.698099  1
