# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.07142399
_cell_length_b   10.27185891
_cell_length_c   45.64349492
_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   3480.98990866
_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  0.269171  0.120479  0.313831  1
  Fe  Fe2  1  0.769171  0.120479  0.313831  1
  Fe  Fe3  1  0.704847  0.491738  0.299921  1
  Fe  Fe4  1  0.133594  0.849074  0.287996  1
  Fe  Fe5  1  0.204847  0.491738  0.299921  1
  Fe  Fe6  1  0.633594  0.849074  0.287996  1
  Fe  Fe7  1  0.954847  0.991738  0.299921  1
  Fe  Fe8  1  0.454847  0.991738  0.299921  1
  Fe  Fe9  1  0.383594  0.349074  0.287996  1
  Fe  Fe10  1  0.519171  0.620479  0.313831  1
  Fe  Fe11  1  0.883594  0.349074  0.287996  1
  Fe  Fe12  1  0.019171  0.620479  0.313831  1
  Fe  Fe13  1  0.975224  0.032711  0.353283  1
  Fe  Fe14  1  0.475224  0.032711  0.353283  1
  Fe  Fe15  1  0.406513  0.395232  0.340542  1
  Fe  Fe16  1  0.839222  0.760614  0.325573  1
  Fe  Fe17  1  0.906513  0.395232  0.340542  1
  Fe  Fe18  1  0.339222  0.760614  0.325573  1
  Fe  Fe19  1  0.656513  0.895232  0.340542  1
  Fe  Fe20  1  0.156513  0.895232  0.340542  1
  Fe  Fe21  1  0.089222  0.260614  0.325573  1
  Fe  Fe22  1  0.225224  0.532711  0.353283  1
  Fe  Fe23  1  0.589222  0.260614  0.325573  1
  Fe  Fe24  1  0.725224  0.532711  0.353283  1
  Fe  Fe25  1  0.679293  0.940982  0.393541  1
  Fe  Fe26  1  0.179293  0.940982  0.393541  1
  Fe  Fe27  1  0.111117  0.304590  0.379683  1
  Fe  Fe28  1  0.542938  0.668181  0.366711  1
  Fe  Fe29  1  0.611117  0.304590  0.379683  1
  Fe  Fe30  1  0.042938  0.668181  0.366711  1
  Fe  Fe31  1  0.361117  0.804590  0.379683  1
  Fe  Fe32  1  0.861117  0.804590  0.379683  1
  Fe  Fe33  1  0.792938  0.168181  0.366711  1
  Fe  Fe34  1  0.929293  0.440982  0.393541  1
  Fe  Fe35  1  0.292938  0.168181  0.366711  1
  Fe  Fe36  1  0.429293  0.440982  0.393541  1
  Fe  Fe37  1  0.383675  0.849886  0.433300  1
  Fe  Fe38  1  0.883675  0.849886  0.433300  1
  Fe  Fe39  1  0.815522  0.213533  0.420059  1
  Fe  Fe40  1  0.247525  0.577494  0.406684  1
  Fe  Fe41  1  0.315522  0.213533  0.420059  1
  Fe  Fe42  1  0.747525  0.577494  0.406684  1
  Fe  Fe43  1  0.065522  0.713533  0.420059  1
  Fe  Fe44  1  0.565522  0.713533  0.420059  1
  Fe  Fe45  1  0.497525  0.077494  0.406684  1
  Fe  Fe46  1  0.633675  0.349886  0.433300  1
  Fe  Fe47  1  0.997525  0.077494  0.406684  1
  Fe  Fe48  1  0.133675  0.349886  0.433300  1
  Fe  Fe49  1  0.088066  0.758803  0.473446  1
  Fe  Fe50  1  0.588066  0.758803  0.473446  1
  Fe  Fe51  1  0.519978  0.122582  0.460094  1
  Fe  Fe52  1  0.951816  0.486211  0.446804  1
  Fe  Fe53  1  0.019978  0.122582  0.460094  1
  Fe  Fe54  1  0.451816  0.486211  0.446804  1
  Fe  Fe55  1  0.769978  0.622582  0.460094  1
  Fe  Fe56  1  0.269978  0.622582  0.460094  1
  Fe  Fe57  1  0.201816  0.986211  0.446804  1
  Fe  Fe58  1  0.338066  0.258803  0.473446  1
  Fe  Fe59  1  0.701816  0.986211  0.446804  1
  Fe  Fe60  1  0.838066  0.258803  0.473446  1
  Fe  Fe61  1  0.792473  0.667754  0.513519  1
  Fe  Fe62  1  0.292473  0.667754  0.513519  1
  Fe  Fe63  1  0.224333  0.031428  0.500144  1
  Fe  Fe64  1  0.656192  0.395102  0.486769  1
  Fe  Fe65  1  0.724333  0.031428  0.500144  1
  Fe  Fe66  1  0.156192  0.395102  0.486769  1
  Fe  Fe67  1  0.474333  0.531428  0.500144  1
  Fe  Fe68  1  0.974333  0.531428  0.500144  1
  Fe  Fe69  1  0.906192  0.895102  0.486769  1
  Fe  Fe70  1  0.042473  0.167754  0.513519  1
  Fe  Fe71  1  0.406192  0.895102  0.486769  1
  Fe  Fe72  1  0.542473  0.167754  0.513519  1
  Fe  Fe73  1  0.496850  0.576645  0.553483  1
  Fe  Fe74  1  0.996850  0.576645  0.553483  1
  Fe  Fe75  1  0.928688  0.940275  0.540193  1
  Fe  Fe76  1  0.360600  0.304053  0.526841  1
  Fe  Fe77  1  0.428688  0.940275  0.540193  1
  Fe  Fe78  1  0.860600  0.304053  0.526841  1
  Fe  Fe79  1  0.178688  0.440275  0.540193  1
  Fe  Fe80  1  0.678688  0.440275  0.540193  1
  Fe  Fe81  1  0.610600  0.804053  0.526841  1
  Fe  Fe82  1  0.746850  0.076645  0.553483  1
  Fe  Fe83  1  0.110600  0.804053  0.526841  1
  Fe  Fe84  1  0.246850  0.076645  0.553483  1
  Fe  Fe85  1  0.201140  0.485362  0.593603  1
  Fe  Fe86  1  0.701140  0.485362  0.593603  1
  Fe  Fe87  1  0.633143  0.849324  0.580228  1
  Fe  Fe88  1  0.064991  0.212971  0.566987  1
  Fe  Fe89  1  0.133143  0.849324  0.580228  1
  Fe  Fe90  1  0.564991  0.212971  0.566987  1
  Fe  Fe91  1  0.883143  0.349324  0.580228  1
  Fe  Fe92  1  0.383143  0.349324  0.580228  1
  Fe  Fe93  1  0.314991  0.712971  0.566987  1
  Fe  Fe94  1  0.451140  0.985362  0.593603  1
  Fe  Fe95  1  0.814991  0.712971  0.566987  1
  Fe  Fe96  1  0.951140  0.985362  0.593603  1
  Fe  Fe97  1  0.905727  0.394675  0.633576  1
  Fe  Fe98  1  0.405727  0.394675  0.633576  1
  Fe  Fe99  1  0.337548  0.758266  0.620605  1
  Fe  Fe100  1  0.769373  0.121874  0.606746  1
  Fe  Fe101  1  0.837548  0.758266  0.620605  1
  Fe  Fe102  1  0.269373  0.121874  0.606746  1
  Fe  Fe103  1  0.587548  0.258266  0.620605  1
  Fe  Fe104  1  0.087548  0.258266  0.620605  1
  Fe  Fe105  1  0.019373  0.621874  0.606746  1
  Fe  Fe106  1  0.155727  0.894675  0.633576  1
  Fe  Fe107  1  0.519373  0.621874  0.606746  1
  Fe  Fe108  1  0.655727  0.894675  0.633576  1
  Fe  Fe109  1  0.609444  0.302243  0.674714  1
  Fe  Fe110  1  0.109444  0.302243  0.674714  1
  Fe  Fe111  1  0.042153  0.667624  0.659746  1
  Fe  Fe112  1  0.473441  0.030146  0.647004  1
  Fe  Fe113  1  0.542153  0.667624  0.659746  1
  Fe  Fe114  1  0.973441  0.030146  0.647004  1
  Fe  Fe115  1  0.292153  0.167624  0.659746  1
  Fe  Fe116  1  0.792153  0.167624  0.659746  1
  Fe  Fe117  1  0.723441  0.530146  0.647004  1
  Fe  Fe118  1  0.859444  0.802243  0.674714  1
  Fe  Fe119  1  0.223441  0.530146  0.647004  1
  Fe  Fe120  1  0.359444  0.802243  0.674714  1
  Fe  Fe121  1  0.315071  0.213783  0.712291  1
  Fe  Fe122  1  0.815071  0.213783  0.712291  1
  Fe  Fe123  1  0.743819  0.571118  0.700367  1
  Fe  Fe124  1  0.179495  0.942377  0.686456  1
  Fe  Fe125  1  0.243819  0.571118  0.700367  1
  Fe  Fe126  1  0.679495  0.942377  0.686456  1
  Fe  Fe127  1  0.993819  0.071118  0.700367  1
  Fe  Fe128  1  0.493819  0.071118  0.700367  1
  Fe  Fe129  1  0.429495  0.442377  0.686456  1
  Fe  Fe130  1  0.565071  0.713783  0.712291  1
  Fe  Fe131  1  0.929495  0.442377  0.686456  1
  Fe  Fe132  1  0.065071  0.713783  0.712291  1
