# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.47781303
_cell_length_b   2.47780913
_cell_length_c   4.05429521
_cell_angle_alpha   90.00003845
_cell_angle_beta   90.00031951
_cell_angle_gamma   109.46983668
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe
_chemical_formula_sum   Fe2
_cell_volume   23.46816847
_cell_formula_units_Z   2
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  Fe0  1  0.50000002  0.50000008  0.49999999  1
  Fe  Fe1  1  0.99999998  0.99999992  0.00000001  1
