# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.52196195
_cell_length_b   2.52196195
_cell_length_c   49.22052272
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999998
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe
_chemical_formula_sum   Fe10
_cell_volume   271.115229119
_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  0.665702  0.332691  0.314273  1
  Fe  Fe2  1  0.332369  0.666024  0.355247  1
  Fe  Fe3  1  0.665702  0.332691  0.397022  1
  Fe  Fe4  1  0.332369  0.666024  0.438765  1
  Fe  Fe5  1  0.665702  0.332691  0.480510  1
  Fe  Fe6  1  0.332369  0.666024  0.522255  1
  Fe  Fe7  1  0.665702  0.332691  0.564000  1
  Fe  Fe8  1  0.332369  0.666024  0.605743  1
  Fe  Fe9  1  0.665702  0.332691  0.647519  1
  Fe  Fe10  1  0.332369  0.666024  0.688492  1
