# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.83234020
_cell_length_b   12.81725916
_cell_length_c   54.07579445
_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   Fe72
_cell_volume   1963.1048256
_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  1.140536  0.137879  0.284527  1
  Fe  Fe2  1  1.140536  0.838350  0.259917  1
  Fe  Fe3  1  1.140536  0.529211  0.238979  1
  Fe  Fe4  1  0.640536  -0.012882  0.273922  1
  Fe  Fe5  1  0.640536  0.681998  0.248871  1
  Fe  Fe6  1  0.640536  0.288025  0.295908  1
  Fe  Fe7  1  0.640536  0.181998  0.248871  1
  Fe  Fe8  1  0.640536  0.788025  0.295908  1
  Fe  Fe9  1  0.640536  0.487118  0.273922  1
  Fe  Fe10  1  1.140536  0.029211  0.238979  1
  Fe  Fe11  1  1.140536  0.637879  0.284527  1
  Fe  Fe12  1  1.140536  0.338350  0.259917  1
  Fe  Fe13  1  1.140536  0.038205  0.356180  1
  Fe  Fe14  1  1.140536  0.738240  0.332032  1
  Fe  Fe15  1  1.140536  0.436651  0.308934  1
  Fe  Fe16  1  0.640536  0.887648  0.344441  1
  Fe  Fe17  1  0.640536  0.587922  0.320406  1
  Fe  Fe18  1  0.640536  0.188478  0.367956  1
  Fe  Fe19  1  0.640536  0.087922  0.320406  1
  Fe  Fe20  1  0.640536  0.688478  0.367956  1
  Fe  Fe21  1  0.640536  0.387648  0.344441  1
  Fe  Fe22  1  1.140536  0.936651  0.308934  1
  Fe  Fe23  1  1.140536  0.538205  0.356180  1
  Fe  Fe24  1  1.140536  0.238240  0.332032  1
  Fe  Fe25  1  1.140536  0.939050  0.427708  1
  Fe  Fe26  1  1.140536  0.638840  0.403793  1
  Fe  Fe27  1  1.140536  0.338293  0.380099  1
  Fe  Fe28  1  0.640536  0.788817  0.415827  1
  Fe  Fe29  1  0.640536  0.488617  0.391946  1
  Fe  Fe30  1  0.640536  0.089260  0.439587  1
  Fe  Fe31  1  0.640536  -0.011383  0.391946  1
  Fe  Fe32  1  0.640536  0.589260  0.439587  1
  Fe  Fe33  1  0.640536  0.288817  0.415827  1
  Fe  Fe34  1  1.140536  0.838293  0.380099  1
  Fe  Fe35  1  1.140536  0.439050  0.427708  1
  Fe  Fe36  1  1.140536  0.138840  0.403793  1
  Fe  Fe37  1  1.140536  0.839924  0.499234  1
  Fe  Fe38  1  1.140536  0.539724  0.475352  1
  Fe  Fe39  1  1.140536  0.239280  0.451592  1
  Fe  Fe40  1  0.640536  0.689700  0.487386  1
  Fe  Fe41  1  0.640536  0.389490  0.463471  1
  Fe  Fe42  1  0.640536  -0.009753  0.511080  1
  Fe  Fe43  1  0.640536  0.889490  0.463471  1
  Fe  Fe44  1  0.640536  0.490247  0.511080  1
  Fe  Fe45  1  0.640536  0.189700  0.487386  1
  Fe  Fe46  1  1.140536  0.739280  0.451592  1
  Fe  Fe47  1  1.140536  0.339924  0.499234  1
  Fe  Fe48  1  1.140536  0.039724  0.475352  1
  Fe  Fe49  1  1.140536  0.740618  0.570773  1
  Fe  Fe50  1  1.140536  0.440892  0.546738  1
  Fe  Fe51  1  1.140536  0.140062  0.523224  1
  Fe  Fe52  1  0.640536  0.590301  0.559147  1
  Fe  Fe53  1  0.640536  0.290335  0.534999  1
  Fe  Fe54  1  0.640536  0.891889  0.582246  1
  Fe  Fe55  1  0.640536  0.790335  0.534999  1
  Fe  Fe56  1  0.640536  0.391889  0.582246  1
  Fe  Fe57  1  0.640536  0.090301  0.559147  1
  Fe  Fe58  1  1.140536  0.640062  0.523224  1
  Fe  Fe59  1  1.140536  0.240618  0.570773  1
  Fe  Fe60  1  1.140536  0.940892  0.546738  1
  Fe  Fe61  1  1.140536  0.646542  0.642308  1
  Fe  Fe62  1  1.140536  0.341422  0.617257  1
  Fe  Fe63  1  1.140536  0.040515  0.595271  1
  Fe  Fe64  1  0.640536  0.490190  0.631262  1
  Fe  Fe65  1  0.640536  0.190661  0.606652  1
  Fe  Fe66  1  0.640536  0.799329  0.652200  1
  Fe  Fe67  1  0.640536  0.690661  0.606652  1
  Fe  Fe68  1  0.640536  0.299329  0.652200  1
  Fe  Fe69  1  0.640536  -0.009810  0.631262  1
  Fe  Fe70  1  1.140536  0.540515  0.595271  1
  Fe  Fe71  1  1.140536  0.146542  0.642308  1
  Fe  Fe72  1  1.140536  0.841422  0.617257  1
