# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.82816551
_cell_length_b   2.82816551
_cell_length_c   46.64491128
_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   Fe14
_cell_volume   373.090262502
_cell_formula_units_Z   14
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  0.506777  0.506777  0.320174  1
  Fe  Fe2  1  0.006777  0.006777  0.288144  1
  Fe  Fe3  1  0.506777  0.506777  0.382267  1
  Fe  Fe4  1  0.006777  0.006777  0.350968  1
  Fe  Fe5  1  0.506777  0.506777  0.444758  1
  Fe  Fe6  1  0.006777  0.006777  0.413510  1
  Fe  Fe7  1  0.506777  0.506777  0.507253  1
  Fe  Fe8  1  0.006777  0.006777  0.476006  1
  Fe  Fe9  1  0.506777  0.506777  0.569748  1
  Fe  Fe10  1  0.006777  0.006777  0.538500  1
  Fe  Fe11  1  0.506777  0.506777  0.632290  1
  Fe  Fe12  1  0.006777  0.006777  0.600991  1
  Fe  Fe13  1  0.506777  0.506777  0.695114  1
  Fe  Fe14  1  0.006777  0.006777  0.663084  1
