# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.56930853
_cell_length_b   12.71690805
_cell_length_c   47.15434451
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   95.91781740
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe
_chemical_formula_sum   Fe54
_cell_volume   1532.49431718
_cell_formula_units_Z   54
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  0.149058  0.878422  0.322627  1
  Fe  Fe2  1  0.989954  0.235369  0.292954  1
  Fe  Fe3  1  0.065656  0.558494  0.308630  1
  Fe  Fe4  1  0.560562  0.058093  0.307601  1
  Fe  Fe5  1  0.659973  0.378549  0.323123  1
  Fe  Fe6  1  0.494864  0.734221  0.293706  1
  Fe  Fe7  1  0.478061  0.842694  0.370258  1
  Fe  Fe8  1  0.290031  0.198903  0.339475  1
  Fe  Fe9  1  0.402923  0.521000  0.355585  1
  Fe  Fe10  1  0.889462  0.020457  0.354837  1
  Fe  Fe11  1  0.019067  0.341261  0.370450  1
  Fe  Fe12  1  0.793089  0.699637  0.340699  1
  Fe  Fe13  1  0.690594  0.810653  0.418162  1
  Fe  Fe14  1  0.614121  0.163352  0.386339  1
  Fe  Fe15  1  0.759980  0.481916  0.402055  1
  Fe  Fe16  1  0.251325  0.986065  0.402060  1
  Fe  Fe17  1  0.393425  0.305429  0.417890  1
  Fe  Fe18  1  0.129349  0.663455  0.388116  1
  Fe  Fe19  1  0.183467  0.768260  0.464379  1
  Fe  Fe20  1  0.806052  0.126562  0.434302  1
  Fe  Fe21  1  0.981979  0.446146  0.450312  1
  Fe  Fe22  1  0.992563  0.949403  0.450173  1
  Fe  Fe23  1  0.163491  0.268775  0.466047  1
  Fe  Fe24  1  0.602811  0.620799  0.434201  1
  Fe  Fe25  1  0.823384  0.732622  0.512104  1
  Fe  Fe26  1  0.394746  0.090533  0.481294  1
  Fe  Fe27  1  0.581960  0.411883  0.497517  1
  Fe  Fe28  1  0.599256  0.910607  0.496790  1
  Fe  Fe29  1  0.786470  0.231958  0.513013  1
  Fe  Fe30  1  0.357832  0.589869  0.482203  1
  Fe  Fe31  1  0.578405  0.701692  0.560106  1
  Fe  Fe32  1  0.017726  0.053715  0.528260  1
  Fe  Fe33  1  0.188653  0.373088  0.544134  1
  Fe  Fe34  1  0.199237  0.876345  0.543995  1
  Fe  Fe35  1  0.375164  0.195929  0.560005  1
  Fe  Fe36  1  0.997749  0.554231  0.529928  1
  Fe  Fe37  1  0.051867  0.659036  0.606191  1
  Fe  Fe38  1  0.787791  0.017062  0.576417  1
  Fe  Fe39  1  0.929891  0.336426  0.592247  1
  Fe  Fe40  1  0.421236  0.840575  0.592252  1
  Fe  Fe41  1  0.567095  0.159139  0.607968  1
  Fe  Fe42  1  0.490622  0.511838  0.576145  1
  Fe  Fe43  1  0.388128  0.622854  0.653608  1
  Fe  Fe44  1  0.162149  0.981230  0.623857  1
  Fe  Fe45  1  0.291754  0.302034  0.639470  1
  Fe  Fe46  1  0.778293  0.801491  0.638722  1
  Fe  Fe47  1  0.891186  0.123588  0.654832  1
  Fe  Fe48  1  0.703155  0.479797  0.624049  1
  Fe  Fe49  1  0.686352  0.588270  0.700601  1
  Fe  Fe50  1  0.521244  0.943942  0.671184  1
  Fe  Fe51  1  0.620654  0.264397  0.686706  1
  Fe  Fe52  1  0.115560  0.763997  0.685677  1
  Fe  Fe53  1  0.191263  0.087121  0.701353  1
  Fe  Fe54  1  0.032158  0.444069  0.671680  1
