# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.10768233
_cell_length_b   10.30723305
_cell_length_c   45.73859081
_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   3515.97894635
_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  0.269245  0.120902  0.314182  1
  Fe  Fe2  1  0.769245  0.120902  0.314182  1
  Fe  Fe3  1  0.703873  0.489983  0.301050  1
  Fe  Fe4  1  0.136119  0.854209  0.290135  1
  Fe  Fe5  1  0.203873  0.489983  0.301050  1
  Fe  Fe6  1  0.636119  0.854209  0.290135  1
  Fe  Fe7  1  0.953873  0.989983  0.301050  1
  Fe  Fe8  1  0.453873  0.989983  0.301050  1
  Fe  Fe9  1  0.386119  0.354209  0.290135  1
  Fe  Fe10  1  0.519245  0.620902  0.314182  1
  Fe  Fe11  1  0.886119  0.354209  0.290135  1
  Fe  Fe12  1  0.019245  0.620902  0.314182  1
  Fe  Fe13  1  0.975404  0.033451  0.353870  1
  Fe  Fe14  1  0.475404  0.033451  0.353870  1
  Fe  Fe15  1  0.406492  0.395529  0.341269  1
  Fe  Fe16  1  0.838918  0.760331  0.325878  1
  Fe  Fe17  1  0.906492  0.395529  0.341269  1
  Fe  Fe18  1  0.338918  0.760331  0.325878  1
  Fe  Fe19  1  0.656492  0.895529  0.341269  1
  Fe  Fe20  1  0.156492  0.895529  0.341269  1
  Fe  Fe21  1  0.088918  0.260331  0.325878  1
  Fe  Fe22  1  0.225404  0.533451  0.353870  1
  Fe  Fe23  1  0.588918  0.260331  0.325878  1
  Fe  Fe24  1  0.725404  0.533451  0.353870  1
  Fe  Fe25  1  0.679209  0.941301  0.394248  1
  Fe  Fe26  1  0.179209  0.941301  0.394248  1
  Fe  Fe27  1  0.111091  0.305000  0.380283  1
  Fe  Fe28  1  0.542808  0.668351  0.367310  1
  Fe  Fe29  1  0.611091  0.305000  0.380283  1
  Fe  Fe30  1  0.042808  0.668351  0.367310  1
  Fe  Fe31  1  0.361091  0.805000  0.380283  1
  Fe  Fe32  1  0.861091  0.805000  0.380283  1
  Fe  Fe33  1  0.792808  0.168351  0.367310  1
  Fe  Fe34  1  0.929209  0.441301  0.394248  1
  Fe  Fe35  1  0.292808  0.168351  0.367310  1
  Fe  Fe36  1  0.429209  0.441301  0.394248  1
  Fe  Fe37  1  0.383513  0.850160  0.434015  1
  Fe  Fe38  1  0.883513  0.850160  0.434015  1
  Fe  Fe39  1  0.815365  0.213783  0.420752  1
  Fe  Fe40  1  0.247444  0.577858  0.407352  1
  Fe  Fe41  1  0.315365  0.213783  0.420752  1
  Fe  Fe42  1  0.747444  0.577858  0.407352  1
  Fe  Fe43  1  0.065365  0.713783  0.420752  1
  Fe  Fe44  1  0.565365  0.713783  0.420752  1
  Fe  Fe45  1  0.497444  0.077858  0.407352  1
  Fe  Fe46  1  0.633513  0.350160  0.434015  1
  Fe  Fe47  1  0.997444  0.077858  0.407352  1
  Fe  Fe48  1  0.133513  0.350160  0.434015  1
  Fe  Fe49  1  0.087807  0.758986  0.474224  1
  Fe  Fe50  1  0.587807  0.758986  0.474224  1
  Fe  Fe51  1  0.519755  0.122804  0.460848  1
  Fe  Fe52  1  0.951621  0.486453  0.447555  1
  Fe  Fe53  1  0.019755  0.122804  0.460848  1
  Fe  Fe54  1  0.451621  0.486453  0.447555  1
  Fe  Fe55  1  0.769755  0.622804  0.460848  1
  Fe  Fe56  1  0.269755  0.622804  0.460848  1
  Fe  Fe57  1  0.201621  0.986453  0.447555  1
  Fe  Fe58  1  0.337807  0.258986  0.474224  1
  Fe  Fe59  1  0.701621  0.986453  0.447555  1
  Fe  Fe60  1  0.837807  0.258986  0.474224  1
  Fe  Fe61  1  0.792131  0.667867  0.514356  1
  Fe  Fe62  1  0.292131  0.667867  0.514356  1
  Fe  Fe63  1  0.224020  0.031569  0.500963  1
  Fe  Fe64  1  0.655909  0.395270  0.487570  1
  Fe  Fe65  1  0.724020  0.031569  0.500963  1
  Fe  Fe66  1  0.155909  0.395270  0.487570  1
  Fe  Fe67  1  0.474020  0.531569  0.500963  1
  Fe  Fe68  1  0.974020  0.531569  0.500963  1
  Fe  Fe69  1  0.905909  0.895270  0.487570  1
  Fe  Fe70  1  0.042131  0.167867  0.514356  1
  Fe  Fe71  1  0.405909  0.895270  0.487570  1
  Fe  Fe72  1  0.542131  0.167867  0.514356  1
  Fe  Fe73  1  0.496419  0.576684  0.554371  1
  Fe  Fe74  1  0.996419  0.576684  0.554371  1
  Fe  Fe75  1  0.928284  0.940334  0.541077  1
  Fe  Fe76  1  0.360233  0.304151  0.527701  1
  Fe  Fe77  1  0.428284  0.940334  0.541077  1
  Fe  Fe78  1  0.860233  0.304151  0.527701  1
  Fe  Fe79  1  0.178284  0.440334  0.541077  1
  Fe  Fe80  1  0.678284  0.440334  0.541077  1
  Fe  Fe81  1  0.610233  0.804151  0.527701  1
  Fe  Fe82  1  0.746419  0.076684  0.554371  1
  Fe  Fe83  1  0.110233  0.804151  0.527701  1
  Fe  Fe84  1  0.246419  0.076684  0.554371  1
  Fe  Fe85  1  0.200596  0.485279  0.594573  1
  Fe  Fe86  1  0.700596  0.485279  0.594573  1
  Fe  Fe87  1  0.632674  0.849354  0.581174  1
  Fe  Fe88  1  0.064526  0.212978  0.567911  1
  Fe  Fe89  1  0.132674  0.849354  0.581174  1
  Fe  Fe90  1  0.564526  0.212978  0.567911  1
  Fe  Fe91  1  0.882674  0.349354  0.581174  1
  Fe  Fe92  1  0.382674  0.349354  0.581174  1
  Fe  Fe93  1  0.314526  0.712978  0.567911  1
  Fe  Fe94  1  0.450596  0.985279  0.594573  1
  Fe  Fe95  1  0.814526  0.712978  0.567911  1
  Fe  Fe96  1  0.950596  0.985279  0.594573  1
  Fe  Fe97  1  0.905231  0.394786  0.634615  1
  Fe  Fe98  1  0.405231  0.394786  0.634615  1
  Fe  Fe99  1  0.336948  0.758137  0.621643  1
  Fe  Fe100  1  0.768831  0.121836  0.607677  1
  Fe  Fe101  1  0.836948  0.758137  0.621643  1
  Fe  Fe102  1  0.268831  0.121836  0.607677  1
  Fe  Fe103  1  0.586948  0.258137  0.621643  1
  Fe  Fe104  1  0.086948  0.258137  0.621643  1
  Fe  Fe105  1  0.018831  0.621836  0.607677  1
  Fe  Fe106  1  0.155231  0.894786  0.634615  1
  Fe  Fe107  1  0.518831  0.621836  0.607677  1
  Fe  Fe108  1  0.655231  0.894786  0.634615  1
  Fe  Fe109  1  0.609122  0.302807  0.676048  1
  Fe  Fe110  1  0.109122  0.302807  0.676048  1
  Fe  Fe111  1  0.041548  0.667609  0.660657  1
  Fe  Fe112  1  0.472636  0.029686  0.648056  1
  Fe  Fe113  1  0.541548  0.667609  0.660657  1
  Fe  Fe114  1  0.972636  0.029686  0.648056  1
  Fe  Fe115  1  0.291548  0.167609  0.660657  1
  Fe  Fe116  1  0.791548  0.167609  0.660657  1
  Fe  Fe117  1  0.722636  0.529686  0.648056  1
  Fe  Fe118  1  0.859122  0.802807  0.676048  1
  Fe  Fe119  1  0.222636  0.529686  0.648056  1
  Fe  Fe120  1  0.359122  0.802807  0.676048  1
  Fe  Fe121  1  0.311920  0.208928  0.711790  1
  Fe  Fe122  1  0.811920  0.208928  0.711790  1
  Fe  Fe123  1  0.744166  0.573154  0.700876  1
  Fe  Fe124  1  0.178795  0.942236  0.687744  1
  Fe  Fe125  1  0.244166  0.573154  0.700876  1
  Fe  Fe126  1  0.678795  0.942236  0.687744  1
  Fe  Fe127  1  0.994166  0.073154  0.700876  1
  Fe  Fe128  1  0.494166  0.073154  0.700876  1
  Fe  Fe129  1  0.428795  0.442236  0.687744  1
  Fe  Fe130  1  0.561920  0.708928  0.711790  1
  Fe  Fe131  1  0.928795  0.442236  0.687744  1
  Fe  Fe132  1  0.061920  0.708928  0.711790  1
