# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.45493103
_cell_length_b   10.76182251
_cell_length_c   47.53762159
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   96.96359794
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe
_chemical_formula_sum   Fe48
_cell_volume   1246.65725567
_cell_formula_units_Z   48
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  0.615413  0.568571  0.300093  1
  Fe  Fe2  1  0.931632  0.136928  0.281440  1
  Fe  Fe3  1  0.485891  0.785626  0.307934  1
  Fe  Fe4  1  0.757304  0.352629  0.290927  1
  Fe  Fe5  1  0.144419  0.430566  0.337194  1
  Fe  Fe6  1  0.360463  1.001095  0.316584  1
  Fe  Fe7  1  1.032550  0.646872  0.345521  1
  Fe  Fe8  1  0.261076  0.215862  0.327289  1
  Fe  Fe9  1  0.615480  0.290787  0.373236  1
  Fe  Fe10  1  0.898871  0.862723  0.353626  1
  Fe  Fe11  1  0.577525  0.507883  0.382924  1
  Fe  Fe12  1  0.745233  0.076141  0.362888  1
  Fe  Fe13  1  0.087846  0.152773  0.409162  1
  Fe  Fe14  1  0.475777  0.724833  0.390808  1
  Fe  Fe15  1  0.906441  0.366177  0.419677  1
  Fe  Fe16  1  0.280891  0.937878  0.400164  1
  Fe  Fe17  1  0.658555  0.012890  0.446340  1
  Fe  Fe18  1  0.262633  0.582559  0.428961  1
  Fe  Fe19  1  0.355326  0.222985  0.456327  1
  Fe  Fe20  1  0.843187  0.796068  0.437579  1
  Fe  Fe21  1  0.406998  0.869472  0.484046  1
  Fe  Fe22  1  0.609931  0.442158  0.465280  1
  Fe  Fe23  1  0.961319  0.081113  0.493753  1
  Fe  Fe24  1  0.035025  0.653774  0.475407  1
  Fe  Fe25  1  0.722192  0.725394  0.520750  1
  Fe  Fe26  1  0.795899  0.298055  0.502404  1
  Fe  Fe27  1  0.147287  0.937011  0.530876  1
  Fe  Fe28  1  0.350220  0.509697  0.512111  1
  Fe  Fe29  1  0.914031  0.583100  0.558577  1
  Fe  Fe30  1  0.401892  0.156183  0.539829  1
  Fe  Fe31  1  0.494584  0.796609  0.567195  1
  Fe  Fe32  1  0.098663  0.366278  0.549817  1
  Fe  Fe33  1  0.476326  0.441290  0.595993  1
  Fe  Fe34  1  0.850777  0.012992  0.576480  1
  Fe  Fe35  1  0.281440  0.654336  0.605349  1
  Fe  Fe36  1  0.669372  0.226396  0.586995  1
  Fe  Fe37  1  1.011984  0.303027  0.633269  1
  Fe  Fe38  1  0.179692  0.871285  0.613232  1
  Fe  Fe39  1  0.858347  0.516445  0.642530  1
  Fe  Fe40  1  0.141738  0.088381  0.622920  1
  Fe  Fe41  1  0.496141  0.163306  0.668868  1
  Fe  Fe42  1  0.724668  0.732297  0.650635  1
  Fe  Fe43  1  0.396755  0.378074  0.679573  1
  Fe  Fe44  1  0.612799  0.948603  0.658963  1
  Fe  Fe45  1  0.999914  0.026540  0.705229  1
  Fe  Fe46  1  0.271327  0.593542  0.688223  1
  Fe  Fe47  1  0.825585  0.242241  0.714717  1
  Fe  Fe48  1  0.141804  0.810598  0.696064  1
