# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.39282966
_cell_length_b   6.64826777
_cell_length_c   50.57814773
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe
_chemical_formula_sum   Fe30
_cell_volume   804.605888669
_cell_formula_units_Z   30
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  0.520492  0.153915  0.268703  1
  Fe  Fe2  1  0.222070  0.816065  0.268702  1
  Fe  Fe3  1  0.871321  0.484982  0.268335  1
  Fe  Fe4  1  0.871248  0.984987  0.309870  1
  Fe  Fe5  1  0.596963  0.648649  0.310952  1
  Fe  Fe6  1  0.145691  0.321333  0.310955  1
  Fe  Fe7  1  0.096629  0.820515  0.351412  1
  Fe  Fe8  1  0.371566  0.485049  0.352734  1
  Fe  Fe9  1  0.645637  0.149422  0.351407  1
  Fe  Fe10  1  0.729799  0.655309  0.393044  1
  Fe  Fe11  1  0.012835  0.314761  0.392990  1
  Fe  Fe12  1  0.371039  0.984902  0.392913  1
  Fe  Fe13  1  0.370741  0.484636  0.433396  1
  Fe  Fe14  1  0.642476  0.149645  0.434403  1
  Fe  Fe15  1  0.099911  0.820940  0.434505  1
  Fe  Fe16  1  0.101435  0.320194  0.475298  1
  Fe  Fe17  1  0.866943  0.988753  0.475899  1
  Fe  Fe18  1  0.647887  0.648229  0.474735  1
  Fe  Fe19  1  0.625420  0.138641  0.519609  1
  Fe  Fe20  1  0.150520  0.820447  0.514968  1
  Fe  Fe21  1  0.372225  0.478518  0.516008  1
  Fe  Fe22  1  0.227190  0.989344  0.567266  1
  Fe  Fe23  1  0.701665  0.684083  0.553723  1
  Fe  Fe24  1  -0.013261  0.329565  0.557165  1
  Fe  Fe25  1  0.559799  0.862999  0.611918  1
  Fe  Fe26  1  0.272422  0.561728  0.591957  1
  Fe  Fe27  1  0.716969  0.223360  0.601834  1
  Fe  Fe28  1  0.775890  0.807213  0.658920  1
  Fe  Fe29  1  0.011258  0.496928  0.635809  1
  Fe  Fe30  1  0.264204  0.137246  0.645047  1
