# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.29348586
_cell_length_b   4.88895274
_cell_length_c   46.34324758
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   68.50166164
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe
_chemical_formula_sum   Fe72
_cell_volume   1959.13249884
_cell_formula_units_Z   72
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  0.753647  0.088848  0.284060  1
  Fe  Fe2  1  0.076952  0.034094  0.285097  1
  Fe  Fe3  1  0.343182  0.937858  0.302940  1
  Fe  Fe4  1  0.859326  0.495107  0.296944  1
  Fe  Fe5  1  0.184320  0.486736  0.295607  1
  Fe  Fe6  1  0.472255  0.395212  0.310833  1
  Fe  Fe7  1  0.615979  0.858716  0.318406  1
  Fe  Fe8  1  0.943388  0.859098  0.322833  1
  Fe  Fe9  1  0.206384  0.753424  0.340370  1
  Fe  Fe10  1  0.724988  0.300091  0.334992  1
  Fe  Fe11  1  0.058284  0.291000  0.334117  1
  Fe  Fe12  1  0.331580  0.216552  0.348379  1
  Fe  Fe13  1  0.476965  0.681101  0.355653  1
  Fe  Fe14  1  0.805916  0.674597  0.358099  1
  Fe  Fe15  1  0.068435  0.572310  0.377033  1
  Fe  Fe16  1  0.583943  0.117008  0.369705  1
  Fe  Fe17  1  0.920955  0.105939  0.371117  1
  Fe  Fe18  1  0.194334  0.033139  0.385083  1
  Fe  Fe19  1  0.340263  0.498401  0.392477  1
  Fe  Fe20  1  0.667362  0.489114  0.394310  1
  Fe  Fe21  1  0.929855  0.396390  0.412877  1
  Fe  Fe22  1  0.447507  0.934965  0.406136  1
  Fe  Fe23  1  0.776246  0.921333  0.407038  1
  Fe  Fe24  1  0.054554  0.853606  0.421151  1
  Fe  Fe25  1  0.202033  0.316030  0.428615  1
  Fe  Fe26  1  0.529578  0.304879  0.431452  1
  Fe  Fe27  1  0.799653  0.214364  0.447515  1
  Fe  Fe28  1  0.310174  0.750794  0.442594  1
  Fe  Fe29  1  0.629801  0.731143  0.444709  1
  Fe  Fe30  1  0.911255  0.679438  0.457077  1
  Fe  Fe31  1  0.062174  0.138572  0.464515  1
  Fe  Fe32  1  0.388312  0.112388  0.468223  1
  Fe  Fe33  1  0.663647  0.056104  0.482563  1
  Fe  Fe34  1  0.169285  0.569002  0.476925  1
  Fe  Fe35  1  0.455947  0.536982  0.487044  1
  Fe  Fe36  1  0.760493  0.510710  0.492158  1
  Fe  Fe37  1  0.922600  0.969052  0.501177  1
  Fe  Fe38  1  0.227146  0.942780  0.506292  1
  Fe  Fe39  1  0.513808  0.910761  0.516410  1
  Fe  Fe40  1  0.019446  0.423658  0.510772  1
  Fe  Fe41  1  0.294781  0.367375  0.525113  1
  Fe  Fe42  1  0.620919  0.341190  0.528820  1
  Fe  Fe43  1  0.771838  0.800325  0.536258  1
  Fe  Fe44  1  0.053292  0.748620  0.548626  1
  Fe  Fe45  1  0.372919  0.728968  0.550742  1
  Fe  Fe46  1  0.883440  0.265399  0.545820  1
  Fe  Fe47  1  0.153515  0.174883  0.561883  1
  Fe  Fe48  1  0.481059  0.163733  0.564720  1
  Fe  Fe49  1  0.628539  0.626157  0.572184  1
  Fe  Fe50  1  0.906847  0.558429  0.586297  1
  Fe  Fe51  1  0.235586  0.544798  0.587199  1
  Fe  Fe52  1  0.753238  0.083373  0.580458  1
  Fe  Fe53  1  0.015731  0.990648  0.599025  1
  Fe  Fe54  1  0.342830  0.981362  0.600859  1
  Fe  Fe55  1  0.488759  0.446624  0.608252  1
  Fe  Fe56  1  0.762138  0.373824  0.622218  1
  Fe  Fe57  1  0.099150  0.362755  0.623630  1
  Fe  Fe58  1  0.614658  0.907452  0.616303  1
  Fe  Fe59  1  0.877177  0.805165  0.635236  1
  Fe  Fe60  1  0.206128  0.798662  0.637683  1
  Fe  Fe61  1  0.351513  0.263210  0.644956  1
  Fe  Fe62  1  0.624809  0.188763  0.659218  1
  Fe  Fe63  1  0.958105  0.179672  0.658343  1
  Fe  Fe64  1  0.476709  0.726338  0.652966  1
  Fe  Fe65  1  0.739705  0.620664  0.670502  1
  Fe  Fe66  1  0.067114  0.621047  0.674929  1
  Fe  Fe67  1  0.210838  0.084551  0.682502  1
  Fe  Fe68  1  0.498773  0.993026  0.697728  1
  Fe  Fe69  1  0.823767  0.984655  0.696391  1
  Fe  Fe70  1  0.339911  0.541905  0.690395  1
  Fe  Fe71  1  0.606141  0.445669  0.708238  1
  Fe  Fe72  1  0.929446  0.390915  0.709276  1
