# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.08140602
_cell_length_b   10.26362098
_cell_length_c   45.73996853
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   113.09346927
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe
_chemical_formula_sum   Fe132
_cell_volume   3489.86044865
_cell_formula_units_Z   132
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  0.269923  0.122574  0.312632  1
  Fe  Fe2  1  0.769923  0.122574  0.312632  1
  Fe  Fe3  1  0.705607  0.493780  0.298429  1
  Fe  Fe4  1  0.134062  0.850338  0.286041  1
  Fe  Fe5  1  0.205607  0.493780  0.298429  1
  Fe  Fe6  1  0.634062  0.850338  0.286041  1
  Fe  Fe7  1  0.955607  0.993780  0.298429  1
  Fe  Fe8  1  0.455607  0.993780  0.298429  1
  Fe  Fe9  1  0.384062  0.350338  0.286041  1
  Fe  Fe10  1  0.519923  0.622574  0.312632  1
  Fe  Fe11  1  0.884062  0.350338  0.286041  1
  Fe  Fe12  1  0.019923  0.622574  0.312632  1
  Fe  Fe13  1  0.975403  0.033751  0.352563  1
  Fe  Fe14  1  0.475403  0.033751  0.352563  1
  Fe  Fe15  1  0.406547  0.395930  0.339589  1
  Fe  Fe16  1  0.839148  0.761065  0.324721  1
  Fe  Fe17  1  0.906547  0.395930  0.339589  1
  Fe  Fe18  1  0.339148  0.761065  0.324721  1
  Fe  Fe19  1  0.656547  0.895930  0.339589  1
  Fe  Fe20  1  0.156547  0.895930  0.339589  1
  Fe  Fe21  1  0.089148  0.261065  0.324721  1
  Fe  Fe22  1  0.225403  0.533751  0.352563  1
  Fe  Fe23  1  0.589148  0.261065  0.324721  1
  Fe  Fe24  1  0.725403  0.533751  0.352563  1
  Fe  Fe25  1  0.679164  0.941562  0.392618  1
  Fe  Fe26  1  0.179164  0.941562  0.392618  1
  Fe  Fe27  1  0.111174  0.305488  0.378886  1
  Fe  Fe28  1  0.542997  0.669028  0.366072  1
  Fe  Fe29  1  0.611174  0.305488  0.378886  1
  Fe  Fe30  1  0.042997  0.669028  0.366072  1
  Fe  Fe31  1  0.361174  0.805488  0.378886  1
  Fe  Fe32  1  0.861174  0.805488  0.378886  1
  Fe  Fe33  1  0.792997  0.169028  0.366072  1
  Fe  Fe34  1  0.929164  0.441562  0.392618  1
  Fe  Fe35  1  0.292997  0.169028  0.366072  1
  Fe  Fe36  1  0.429164  0.441562  0.392618  1
  Fe  Fe37  1  0.383501  0.850534  0.432386  1
  Fe  Fe38  1  0.883501  0.850534  0.432386  1
  Fe  Fe39  1  0.815411  0.214253  0.419214  1
  Fe  Fe40  1  0.247444  0.578222  0.405830  1
  Fe  Fe41  1  0.315411  0.214253  0.419214  1
  Fe  Fe42  1  0.747444  0.578222  0.405830  1
  Fe  Fe43  1  0.065411  0.714253  0.419214  1
  Fe  Fe44  1  0.565411  0.714253  0.419214  1
  Fe  Fe45  1  0.497444  0.078222  0.405830  1
  Fe  Fe46  1  0.633501  0.350534  0.432386  1
  Fe  Fe47  1  0.997444  0.078222  0.405830  1
  Fe  Fe48  1  0.133501  0.350534  0.432386  1
  Fe  Fe49  1  0.087738  0.759301  0.472450  1
  Fe  Fe50  1  0.587738  0.759301  0.472450  1
  Fe  Fe51  1  0.519690  0.123108  0.459119  1
  Fe  Fe52  1  0.951557  0.486742  0.445825  1
  Fe  Fe53  1  0.019690  0.123108  0.459119  1
  Fe  Fe54  1  0.451557  0.486742  0.445825  1
  Fe  Fe55  1  0.769690  0.623108  0.459119  1
  Fe  Fe56  1  0.269690  0.623108  0.459119  1
  Fe  Fe57  1  0.201557  0.986742  0.445825  1
  Fe  Fe58  1  0.337738  0.259301  0.472450  1
  Fe  Fe59  1  0.701557  0.986742  0.445825  1
  Fe  Fe60  1  0.837738  0.259301  0.472450  1
  Fe  Fe61  1  0.791987  0.668093  0.512424  1
  Fe  Fe62  1  0.291987  0.668093  0.512424  1
  Fe  Fe63  1  0.223900  0.031821  0.499079  1
  Fe  Fe64  1  0.655813  0.395549  0.485734  1
  Fe  Fe65  1  0.723900  0.031821  0.499079  1
  Fe  Fe66  1  0.155813  0.395549  0.485734  1
  Fe  Fe67  1  0.473900  0.531821  0.499079  1
  Fe  Fe68  1  0.973900  0.531821  0.499079  1
  Fe  Fe69  1  0.905813  0.895549  0.485734  1
  Fe  Fe70  1  0.041987  0.168093  0.512424  1
  Fe  Fe71  1  0.405813  0.895549  0.485734  1
  Fe  Fe72  1  0.541987  0.168093  0.512424  1
  Fe  Fe73  1  0.496243  0.576900  0.552333  1
  Fe  Fe74  1  0.996243  0.576900  0.552333  1
  Fe  Fe75  1  0.928109  0.940534  0.539039  1
  Fe  Fe76  1  0.360062  0.304341  0.525708  1
  Fe  Fe77  1  0.428109  0.940534  0.539039  1
  Fe  Fe78  1  0.860062  0.304341  0.525708  1
  Fe  Fe79  1  0.178109  0.440534  0.539039  1
  Fe  Fe80  1  0.678109  0.440534  0.539039  1
  Fe  Fe81  1  0.610062  0.804341  0.525708  1
  Fe  Fe82  1  0.746243  0.076900  0.552333  1
  Fe  Fe83  1  0.110062  0.804341  0.525708  1
  Fe  Fe84  1  0.246243  0.076900  0.552333  1
  Fe  Fe85  1  0.200356  0.485420  0.592329  1
  Fe  Fe86  1  0.700356  0.485420  0.592329  1
  Fe  Fe87  1  0.632389  0.849389  0.578945  1
  Fe  Fe88  1  0.064298  0.213108  0.565773  1
  Fe  Fe89  1  0.132389  0.849389  0.578945  1
  Fe  Fe90  1  0.564298  0.213108  0.565773  1
  Fe  Fe91  1  0.882389  0.349389  0.578945  1
  Fe  Fe92  1  0.382389  0.349389  0.578945  1
  Fe  Fe93  1  0.314298  0.713108  0.565773  1
  Fe  Fe94  1  0.450356  0.985420  0.592329  1
  Fe  Fe95  1  0.814298  0.713108  0.565773  1
  Fe  Fe96  1  0.950356  0.985420  0.592329  1
  Fe  Fe97  1  0.904803  0.394614  0.632087  1
  Fe  Fe98  1  0.404803  0.394614  0.632087  1
  Fe  Fe99  1  0.336625  0.758154  0.619272  1
  Fe  Fe100  1  0.768636  0.122080  0.605541  1
  Fe  Fe101  1  0.836625  0.758154  0.619272  1
  Fe  Fe102  1  0.268636  0.122080  0.605541  1
  Fe  Fe103  1  0.586625  0.258154  0.619272  1
  Fe  Fe104  1  0.086625  0.258154  0.619272  1
  Fe  Fe105  1  0.018636  0.622080  0.605541  1
  Fe  Fe106  1  0.154803  0.894614  0.632087  1
  Fe  Fe107  1  0.518636  0.622080  0.605541  1
  Fe  Fe108  1  0.654803  0.894614  0.632087  1
  Fe  Fe109  1  0.608652  0.302577  0.673437  1
  Fe  Fe110  1  0.108652  0.302577  0.673437  1
  Fe  Fe111  1  0.041253  0.667712  0.658569  1
  Fe  Fe112  1  0.472397  0.029891  0.645596  1
  Fe  Fe113  1  0.541253  0.667712  0.658569  1
  Fe  Fe114  1  0.972397  0.029891  0.645596  1
  Fe  Fe115  1  0.291253  0.167712  0.658569  1
  Fe  Fe116  1  0.791253  0.167712  0.658569  1
  Fe  Fe117  1  0.722397  0.529891  0.645596  1
  Fe  Fe118  1  0.858652  0.802577  0.673437  1
  Fe  Fe119  1  0.222397  0.529891  0.645596  1
  Fe  Fe120  1  0.358652  0.802577  0.673437  1
  Fe  Fe121  1  0.313737  0.213304  0.712117  1
  Fe  Fe122  1  0.813737  0.213304  0.712117  1
  Fe  Fe123  1  0.742192  0.569862  0.699729  1
  Fe  Fe124  1  0.177877  0.941068  0.685526  1
  Fe  Fe125  1  0.242192  0.569862  0.699729  1
  Fe  Fe126  1  0.677877  0.941068  0.685526  1
  Fe  Fe127  1  0.992192  0.069862  0.699729  1
  Fe  Fe128  1  0.492192  0.069862  0.699729  1
  Fe  Fe129  1  0.427877  0.441068  0.685526  1
  Fe  Fe130  1  0.563737  0.713304  0.712117  1
  Fe  Fe131  1  0.927877  0.441068  0.685526  1
  Fe  Fe132  1  0.063737  0.713304  0.712117  1
