# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.59514707
_cell_length_b   2.59514707
_cell_length_c   46.76115724
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe
_chemical_formula_sum   Fe10
_cell_volume   272.734346271
_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  0.334011  0.334689  0.295511  1
  Fe  Fe2  1  0.667345  0.668023  0.340519  1
  Fe  Fe3  1  0.334011  0.334689  0.386037  1
  Fe  Fe4  1  0.667345  0.668023  0.431544  1
  Fe  Fe5  1  0.334011  0.334689  0.477051  1
  Fe  Fe6  1  0.667345  0.668023  0.522558  1
  Fe  Fe7  1  0.334011  0.334689  0.568064  1
  Fe  Fe8  1  0.667345  0.668023  0.613571  1
  Fe  Fe9  1  0.334011  0.334689  0.659089  1
  Fe  Fe10  1  0.667345  0.668023  0.704097  1
