# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.82773572
_cell_length_b   10.31190377
_cell_length_c   47.78118980
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe
_chemical_formula_sum   Fe54
_cell_volume   1393.26789453
_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  0.504867  0.178327  0.319918  1
  Fe  Fe2  1  0.504867  0.957608  0.284161  1
  Fe  Fe3  1  0.504867  0.563653  0.300176  1
  Fe  Fe4  1  0.004867  0.369484  0.308685  1
  Fe  Fe5  1  0.004867  0.158725  0.277185  1
  Fe  Fe6  1  0.004867  0.760182  0.292109  1
  Fe  Fe7  1  0.504867  0.025154  0.368491  1
  Fe  Fe8  1  0.504867  0.794776  0.334574  1
  Fe  Fe9  1  0.504867  0.410202  0.351159  1
  Fe  Fe10  1  0.004867  0.218744  0.360767  1
  Fe  Fe11  1  0.004867  0.986684  0.326800  1
  Fe  Fe12  1  0.004867  0.602294  0.342657  1
  Fe  Fe13  1  0.504867  0.870996  0.418019  1
  Fe  Fe14  1  0.504867  0.640329  0.384461  1
  Fe  Fe15  1  0.504867  0.256603  0.401963  1
  Fe  Fe16  1  0.004867  0.063627  0.410034  1
  Fe  Fe17  1  0.004867  0.832575  0.376342  1
  Fe  Fe18  1  0.004867  0.448496  0.392974  1
  Fe  Fe19  1  0.504867  0.717005  0.467876  1
  Fe  Fe20  1  0.504867  0.486706  0.434698  1
  Fe  Fe21  1  0.504867  0.101998  0.451585  1
  Fe  Fe22  1  0.004867  0.909394  0.459654  1
  Fe  Fe23  1  0.004867  0.678683  0.426202  1
  Fe  Fe24  1  0.004867  0.294657  0.443387  1
  Fe  Fe25  1  0.504867  0.563155  0.518040  1
  Fe  Fe26  1  0.504867  0.332824  0.484927  1
  Fe  Fe27  1  0.504867  0.947748  0.501257  1
  Fe  Fe28  1  0.004867  0.755259  0.509489  1
  Fe  Fe29  1  0.004867  0.524928  0.476376  1
  Fe  Fe30  1  0.004867  0.140335  0.493159  1
  Fe  Fe31  1  0.504867  0.409400  0.568213  1
  Fe  Fe32  1  0.504867  0.178689  0.534762  1
  Fe  Fe33  1  0.504867  0.793426  0.551029  1
  Fe  Fe34  1  0.004867  0.601377  0.559718  1
  Fe  Fe35  1  0.004867  0.371078  0.526540  1
  Fe  Fe36  1  0.004867  0.986085  0.542831  1
  Fe  Fe37  1  0.504867  0.255508  0.618074  1
  Fe  Fe38  1  0.504867  0.024456  0.584382  1
  Fe  Fe39  1  0.504867  0.639587  0.601441  1
  Fe  Fe40  1  0.004867  0.447754  0.609954  1
  Fe  Fe41  1  0.004867  0.217087  0.576396  1
  Fe  Fe42  1  0.004867  0.831480  0.592452  1
  Fe  Fe43  1  0.504867  0.101399  0.667616  1
  Fe  Fe44  1  0.504867  0.869339  0.633648  1
  Fe  Fe45  1  0.504867  0.485789  0.651759  1
  Fe  Fe46  1  0.004867  0.293307  0.659842  1
  Fe  Fe47  1  0.004867  0.062929  0.625925  1
  Fe  Fe48  1  0.004867  0.677881  0.643257  1
  Fe  Fe49  1  0.504867  0.929359  0.717231  1
  Fe  Fe50  1  0.504867  0.718599  0.685731  1
  Fe  Fe51  1  0.504867  0.327901  0.702307  1
  Fe  Fe52  1  0.004867  0.130475  0.710255  1
  Fe  Fe53  1  0.004867  0.909756  0.674498  1
  Fe  Fe54  1  0.004867  0.524430  0.694240  1
