# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.58109000
_cell_length_b   2.58109000
_cell_length_c   46.18785319
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe
_chemical_formula_sum   Fe10
_cell_volume   266.480051446
_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  0.673745  0.338052  0.291883  1
  Fe  Fe2  1  0.340411  0.671385  0.337054  1
  Fe  Fe3  1  0.673745  0.338052  0.382534  1
  Fe  Fe4  1  0.340411  0.671385  0.428027  1
  Fe  Fe5  1  0.673745  0.338052  0.473520  1
  Fe  Fe6  1  0.340411  0.671385  0.519014  1
  Fe  Fe7  1  0.673745  0.338052  0.564507  1
  Fe  Fe8  1  0.340411  0.671385  0.610000  1
  Fe  Fe9  1  0.673745  0.338052  0.655480  1
  Fe  Fe10  1  0.340411  0.671385  0.700651  1
