# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.47958567
_cell_length_b   12.62797944
_cell_length_c   48.01337469
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   84.26082953
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe
_chemical_formula_sum   Fe60
_cell_volume   1495.8664197
_cell_formula_units_Z   60
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  0.068198  0.879175  0.299828  1
  Fe  Fe2  1  0.391866  0.231355  0.269706  1
  Fe  Fe3  1  0.230246  0.555276  0.284524  1
  Fe  Fe4  1  0.480588  0.054447  0.290110  1
  Fe  Fe5  1  0.319817  0.375681  0.303458  1
  Fe  Fe6  1  0.644270  0.726684  0.276588  1
  Fe  Fe7  1  0.583835  0.847964  0.344868  1
  Fe  Fe8  1  0.906721  0.202120  0.315787  1
  Fe  Fe9  1  0.744367  0.526686  0.330189  1
  Fe  Fe10  1  0.997429  0.020796  0.335589  1
  Fe  Fe11  1  0.834546  0.346308  0.350334  1
  Fe  Fe12  1  0.158927  0.697645  0.320697  1
  Fe  Fe13  1  0.098938  0.817897  0.390527  1
  Fe  Fe14  1  0.422256  0.171176  0.360735  1
  Fe  Fe15  1  0.260056  0.495426  0.375792  1
  Fe  Fe16  1  0.512820  0.990133  0.381338  1
  Fe  Fe17  1  0.350719  0.314085  0.396331  1
  Fe  Fe18  1  0.673789  0.667908  0.366476  1
  Fe  Fe19  1  0.614441  0.786975  0.435982  1
  Fe  Fe20  1  0.937662  0.140450  0.406030  1
  Fe  Fe21  1  0.775831  0.463966  0.421076  1
  Fe  Fe22  1  0.028135  0.959524  0.426952  1
  Fe  Fe23  1  0.866389  0.282843  0.442008  1
  Fe  Fe24  1  0.189271  0.636972  0.412024  1
  Fe  Fe25  1  0.130008  0.755909  0.481377  1
  Fe  Fe26  1  0.453068  0.109717  0.451348  1
  Fe  Fe27  1  0.291386  0.432946  0.466417  1
  Fe  Fe28  1  0.543603  0.928622  0.472416  1
  Fe  Fe29  1  0.381933  0.251827  0.487495  1
  Fe  Fe30  1  0.704934  0.605735  0.457437  1
  Fe  Fe31  1  0.645568  0.724876  0.526775  1
  Fe  Fe32  1  0.968569  0.078783  0.496717  1
  Fe  Fe33  1  0.806899  0.401989  0.511796  1
  Fe  Fe34  1  0.059117  0.897664  0.517796  1
  Fe  Fe35  1  0.897434  0.220894  0.532865  1
  Fe  Fe36  1  0.220494  0.574702  0.502836  1
  Fe  Fe37  1  0.161231  0.693638  0.572189  1
  Fe  Fe38  1  0.484114  0.047768  0.542204  1
  Fe  Fe39  1  0.322368  0.371087  0.557260  1
  Fe  Fe40  1  0.574671  0.866644  0.563137  1
  Fe  Fe41  1  0.412840  0.190161  0.578183  1
  Fe  Fe42  1  0.736061  0.543636  0.548230  1
  Fe  Fe43  1  0.676713  0.662703  0.617737  1
  Fe  Fe44  1  0.999783  0.016525  0.587881  1
  Fe  Fe45  1  0.837683  0.340478  0.602875  1
  Fe  Fe46  1  0.090447  0.835185  0.608421  1
  Fe  Fe47  1  0.928247  0.159435  0.623478  1
  Fe  Fe48  1  0.251565  0.512714  0.593686  1
  Fe  Fe49  1  0.191576  0.632965  0.663516  1
  Fe  Fe50  1  0.515956  0.984303  0.633878  1
  Fe  Fe51  1  0.353074  0.309814  0.648624  1
  Fe  Fe52  1  0.606135  0.803925  0.654024  1
  Fe  Fe53  1  0.443781  0.128490  0.668426  1
  Fe  Fe54  1  0.766667  0.482647  0.639345  1
  Fe  Fe55  1  0.706233  0.603926  0.707624  1
  Fe  Fe56  1  0.030686  0.954930  0.680755  1
  Fe  Fe57  1  0.869915  0.276163  0.694102  1
  Fe  Fe58  1  0.120257  0.775335  0.699688  1
  Fe  Fe59  1  0.958637  0.099256  0.714506  1
  Fe  Fe60  1  0.282305  0.451436  0.684384  1
