# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.59746321
_cell_length_b   2.59746321
_cell_length_c   72.21187333
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   60.00000001
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe
_chemical_formula_sum   Fe15
_cell_volume   421.927714186
_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  0.235106  0.303545  0.112124  1
  Fe  Fe2  1  0.901773  0.970212  0.141254  1
  Fe  Fe3  1  0.568439  0.636879  0.170714  1
  Fe  Fe4  1  0.235106  0.303545  0.200167  1
  Fe  Fe5  1  0.901773  0.970212  0.229621  1
  Fe  Fe6  1  0.568439  0.636879  0.259074  1
  Fe  Fe7  1  0.235106  0.303545  0.288527  1
  Fe  Fe8  1  0.901773  0.970212  0.317981  1
  Fe  Fe9  1  0.568439  0.636879  0.347434  1
  Fe  Fe10  1  0.235106  0.303545  0.376887  1
  Fe  Fe11  1  0.901773  0.970212  0.406341  1
  Fe  Fe12  1  0.568439  0.636879  0.435794  1
  Fe  Fe13  1  0.235106  0.303545  0.465247  1
  Fe  Fe14  1  0.901773  0.970212  0.494708  1
  Fe  Fe15  1  0.568439  0.636879  0.523838  1
