# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.55715778
_cell_length_b   2.55715778
_cell_length_c   46.08004582
_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   260.950771587
_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  0.669180  0.335009  0.295856  1
  Fe  Fe2  1  0.335846  0.668342  0.340677  1
  Fe  Fe3  1  0.669180  0.335009  0.386221  1
  Fe  Fe4  1  0.335846  0.668342  0.431750  1
  Fe  Fe5  1  0.669180  0.335009  0.477278  1
  Fe  Fe6  1  0.335846  0.668342  0.522807  1
  Fe  Fe7  1  0.669180  0.335009  0.568336  1
  Fe  Fe8  1  0.335846  0.668342  0.613865  1
  Fe  Fe9  1  0.669180  0.335009  0.659409  1
  Fe  Fe10  1  0.335846  0.668342  0.704230  1
