# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.10241567
_cell_length_b   11.47255022
_cell_length_c   49.84189450
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   102.92096638
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe
_chemical_formula_sum   Fe108
_cell_volume   2843.7548027
_cell_formula_units_Z   108
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  0.009965  0.698402  0.285940  1
  Fe  Fe2  1  0.170154  0.017385  0.300880  1
  Fe  Fe3  1  0.328427  0.332559  0.317087  1
  Fe  Fe4  1  0.328427  0.832559  0.317087  1
  Fe  Fe5  1  0.009965  0.198402  0.285940  1
  Fe  Fe6  1  0.170154  0.517385  0.300880  1
  Fe  Fe7  1  0.828427  0.832559  0.317087  1
  Fe  Fe8  1  0.509965  0.198402  0.285940  1
  Fe  Fe9  1  0.670154  0.517385  0.300880  1
  Fe  Fe10  1  0.509965  0.698402  0.285940  1
  Fe  Fe11  1  0.670154  0.017385  0.300880  1
  Fe  Fe12  1  0.828427  0.332559  0.317087  1
  Fe  Fe13  1  0.487950  0.648373  0.334039  1
  Fe  Fe14  1  0.646397  0.964005  0.350530  1
  Fe  Fe15  1  0.805332  0.280258  0.367341  1
  Fe  Fe16  1  0.805332  0.780258  0.367341  1
  Fe  Fe17  1  0.487950  0.148373  0.334039  1
  Fe  Fe18  1  0.646397  0.464005  0.350530  1
  Fe  Fe19  1  0.305332  0.780258  0.367341  1
  Fe  Fe20  1  0.987950  0.148373  0.334039  1
  Fe  Fe21  1  0.146397  0.464005  0.350530  1
  Fe  Fe22  1  0.987950  0.648373  0.334039  1
  Fe  Fe23  1  0.146397  0.964005  0.350530  1
  Fe  Fe24  1  0.305332  0.280258  0.367341  1
  Fe  Fe25  1  0.963704  0.595857  0.384039  1
  Fe  Fe26  1  0.122289  0.911867  0.400757  1
  Fe  Fe27  1  0.280736  0.227691  0.417461  1
  Fe  Fe28  1  0.280736  0.727691  0.417461  1
  Fe  Fe29  1  0.963704  0.095857  0.384039  1
  Fe  Fe30  1  0.122289  0.411867  0.400757  1
  Fe  Fe31  1  0.780736  0.727691  0.417461  1
  Fe  Fe32  1  0.463704  0.095857  0.384039  1
  Fe  Fe33  1  0.622289  0.411867  0.400757  1
  Fe  Fe34  1  0.463704  0.595857  0.384039  1
  Fe  Fe35  1  0.622289  0.911867  0.400757  1
  Fe  Fe36  1  0.780736  0.227691  0.417461  1
  Fe  Fe37  1  0.439220  0.543592  0.434185  1
  Fe  Fe38  1  0.597671  0.859449  0.450892  1
  Fe  Fe39  1  0.756137  0.175339  0.467609  1
  Fe  Fe40  1  0.756137  0.675339  0.467609  1
  Fe  Fe41  1  0.439220  0.043592  0.434185  1
  Fe  Fe42  1  0.597671  0.359449  0.450892  1
  Fe  Fe43  1  0.256137  0.675339  0.467609  1
  Fe  Fe44  1  0.939220  0.043592  0.434185  1
  Fe  Fe45  1  0.097671  0.359449  0.450892  1
  Fe  Fe46  1  0.939220  0.543592  0.434185  1
  Fe  Fe47  1  0.097671  0.859449  0.450892  1
  Fe  Fe48  1  0.256137  0.175339  0.467609  1
  Fe  Fe49  1  0.914590  0.491207  0.484322  1
  Fe  Fe50  1  0.073047  0.807085  0.501036  1
  Fe  Fe51  1  0.231504  0.122963  0.517749  1
  Fe  Fe52  1  0.231504  0.622963  0.517749  1
  Fe  Fe53  1  0.914590  0.991207  0.484322  1
  Fe  Fe54  1  0.073047  0.307085  0.501036  1
  Fe  Fe55  1  0.731504  0.622963  0.517749  1
  Fe  Fe56  1  0.414590  0.991207  0.484322  1
  Fe  Fe57  1  0.573047  0.307085  0.501036  1
  Fe  Fe58  1  0.414590  0.491207  0.484322  1
  Fe  Fe59  1  0.573047  0.807085  0.501036  1
  Fe  Fe60  1  0.731504  0.122963  0.517749  1
  Fe  Fe61  1  0.389958  0.438831  0.534462  1
  Fe  Fe62  1  0.548423  0.754721  0.551179  1
  Fe  Fe63  1  0.706874  0.070578  0.567886  1
  Fe  Fe64  1  0.706874  0.570578  0.567886  1
  Fe  Fe65  1  0.389958  0.938831  0.534462  1
  Fe  Fe66  1  0.548423  0.254721  0.551179  1
  Fe  Fe67  1  0.206874  0.570578  0.567886  1
  Fe  Fe68  1  0.889958  0.938831  0.534462  1
  Fe  Fe69  1  0.048423  0.254721  0.551179  1
  Fe  Fe70  1  0.889958  0.438831  0.534462  1
  Fe  Fe71  1  0.048423  0.754721  0.551179  1
  Fe  Fe72  1  0.206874  0.070578  0.567886  1
  Fe  Fe73  1  0.865358  0.386479  0.584610  1
  Fe  Fe74  1  0.023805  0.702303  0.601314  1
  Fe  Fe75  1  0.182390  0.018314  0.618032  1
  Fe  Fe76  1  0.182390  0.518314  0.618032  1
  Fe  Fe77  1  0.865358  0.886479  0.584610  1
  Fe  Fe78  1  0.023805  0.202303  0.601314  1
  Fe  Fe79  1  0.682390  0.518314  0.618032  1
  Fe  Fe80  1  0.365358  0.886479  0.584610  1
  Fe  Fe81  1  0.523805  0.202303  0.601314  1
  Fe  Fe82  1  0.365358  0.386479  0.584610  1
  Fe  Fe83  1  0.523805  0.702303  0.601314  1
  Fe  Fe84  1  0.682390  0.018314  0.618032  1
  Fe  Fe85  1  0.340762  0.333912  0.634730  1
  Fe  Fe86  1  0.499697  0.650166  0.651541  1
  Fe  Fe87  1  0.658144  0.965797  0.668032  1
  Fe  Fe88  1  0.658144  0.465797  0.668032  1
  Fe  Fe89  1  0.340762  0.833912  0.634730  1
  Fe  Fe90  1  0.499697  0.150166  0.651541  1
  Fe  Fe91  1  0.158144  0.465797  0.668032  1
  Fe  Fe92  1  0.840762  0.833912  0.634730  1
  Fe  Fe93  1  0.999697  0.150166  0.651541  1
  Fe  Fe94  1  0.840762  0.333912  0.634730  1
  Fe  Fe95  1  0.999697  0.650166  0.651541  1
  Fe  Fe96  1  0.158144  0.965797  0.668032  1
  Fe  Fe97  1  0.817667  0.281611  0.684984  1
  Fe  Fe98  1  0.975940  0.596785  0.701191  1
  Fe  Fe99  1  0.136129  0.915768  0.716131  1
  Fe  Fe100  1  0.136129  0.415768  0.716131  1
  Fe  Fe101  1  0.817667  0.781611  0.684984  1
  Fe  Fe102  1  0.975940  0.096785  0.701191  1
  Fe  Fe103  1  0.636129  0.415768  0.716131  1
  Fe  Fe104  1  0.317667  0.781611  0.684984  1
  Fe  Fe105  1  0.475940  0.096785  0.701191  1
  Fe  Fe106  1  0.317667  0.281611  0.684984  1
  Fe  Fe107  1  0.475940  0.596785  0.701191  1
  Fe  Fe108  1  0.636129  0.915768  0.716131  1
