# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.83210464
_cell_length_b   2.83210464
_cell_length_c   46.42133158
_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   372.336991689
_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  0.505975  0.505975  0.321896  1
  Fe  Fe2  1  1.005975  1.005975  0.291228  1
  Fe  Fe3  1  0.505975  0.505975  0.384345  1
  Fe  Fe4  1  1.005975  0.005975  0.353009  1
  Fe  Fe5  1  0.505975  0.505975  0.446948  1
  Fe  Fe6  1  1.005975  1.005975  0.415644  1
  Fe  Fe7  1  0.505975  0.505975  0.509553  1
  Fe  Fe8  1  1.005975  1.005975  0.478250  1
  Fe  Fe9  1  0.505975  0.505975  0.572160  1
  Fe  Fe10  1  1.005975  0.005975  0.540856  1
  Fe  Fe11  1  0.505975  0.505975  0.634795  1
  Fe  Fe12  1  1.005975  1.005975  0.603459  1
  Fe  Fe13  1  0.505975  0.505975  0.696576  1
  Fe  Fe14  1  1.005975  1.005975  0.665907  1
