# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.48226865
_cell_length_b   2.48226865
_cell_length_c   68.58295357
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000001
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe
_chemical_formula_sum   Fe15
_cell_volume   365.969067869
_cell_formula_units_Z   15
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  0.577385  0.329368  0.126698  1
  Fe  Fe2  1  0.910719  0.996035  0.156401  1
  Fe  Fe3  1  1.244052  0.662701  0.185826  1
  Fe  Fe4  1  0.577385  0.329368  0.215247  1
  Fe  Fe5  1  0.910719  0.996035  0.244668  1
  Fe  Fe6  1  1.244052  0.662701  0.274089  1
  Fe  Fe7  1  0.577385  0.329368  0.303510  1
  Fe  Fe8  1  0.910719  0.996035  0.332931  1
  Fe  Fe9  1  1.244052  0.662701  0.362352  1
  Fe  Fe10  1  0.577385  0.329368  0.391773  1
  Fe  Fe11  1  0.910719  0.996035  0.421194  1
  Fe  Fe12  1  1.244052  0.662701  0.450615  1
  Fe  Fe13  1  0.577385  0.329368  0.480036  1
  Fe  Fe14  1  0.910719  0.996035  0.509460  1
  Fe  Fe15  1  1.244052  0.662701  0.539163  1
