# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.47234446
_cell_length_b   6.11358998
_cell_length_c   59.93527190
_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   Fe33
_cell_volume   905.915658458
_cell_formula_units_Z   33
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  0.516022  0.956005  0.210291  1
  Fe  Fe2  1  0.763033  0.665458  0.184795  1
  Fe  Fe3  1  0.270174  0.320698  0.197993  1
  Fe  Fe4  1  0.205972  0.898743  0.249003  1
  Fe  Fe5  1  0.006157  0.611761  0.223365  1
  Fe  Fe6  1  0.832424  0.247490  0.235737  1
  Fe  Fe7  1  0.849169  0.807549  0.286555  1
  Fe  Fe8  1  0.426438  0.532482  0.260801  1
  Fe  Fe9  1  0.600979  0.171573  0.274590  1
  Fe  Fe10  1  0.517005  0.716410  0.324281  1
  Fe  Fe11  1  0.076311  0.443698  0.298927  1
  Fe  Fe12  1  0.276174  1.080498  0.312619  1
  Fe  Fe13  1  0.210006  0.623968  0.361908  1
  Fe  Fe14  1  0.752194  0.353276  0.337028  1
  Fe  Fe15  1  0.911358  0.989015  0.350720  1
  Fe  Fe16  1  0.913108  0.552021  0.400625  1
  Fe  Fe17  1  0.472720  0.270697  0.375606  1
  Fe  Fe18  1  0.209723  0.917331  0.389400  1
  Fe  Fe19  1  0.279265  0.460768  0.438849  1
  Fe  Fe20  1  0.748859  0.188266  0.414159  1
  Fe  Fe21  1  0.516664  0.824683  0.426996  1
  Fe  Fe22  1  0.616142  0.370638  0.477035  1
  Fe  Fe23  1  0.069784  1.097732  0.452138  1
  Fe  Fe24  1  0.846532  0.733692  0.464745  1
  Fe  Fe25  1  0.949088  0.280158  0.515013  1
  Fe  Fe26  1  0.401819  1.006987  0.490075  1
  Fe  Fe27  1  0.177780  0.643633  0.502677  1
  Fe  Fe28  1  0.274973  0.190591  0.552891  1
  Fe  Fe29  1  0.735812  0.916722  0.528129  1
  Fe  Fe30  1  0.511510  0.552973  0.540630  1
  Fe  Fe31  1  0.568343  1.096867  0.590578  1
  Fe  Fe32  1  0.080350  0.826260  0.566085  1
  Fe  Fe33  1  0.846646  0.462792  0.578718  1
