# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.48667206
_cell_length_b   2.48667206
_cell_length_c   48.45170378
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   60.00000001
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe
_chemical_formula_sum   Fe10
_cell_volume   259.463764994
_cell_formula_units_Z   10
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  0.332055  0.330776  0.312578  1
  Fe  Fe2  1  0.665388  0.664109  0.354606  1
  Fe  Fe3  1  0.332055  0.330776  0.396232  1
  Fe  Fe4  1  0.665388  0.664109  0.437854  1
  Fe  Fe5  1  0.332055  0.330776  0.479475  1
  Fe  Fe6  1  0.665388  0.664109  0.521096  1
  Fe  Fe7  1  0.332055  0.330776  0.562717  1
  Fe  Fe8  1  0.665388  0.664109  0.604338  1
  Fe  Fe9  1  0.332055  0.330776  0.645965  1
  Fe  Fe10  1  0.665388  0.664109  0.687993  1
