# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.39257656
_cell_length_b   4.91386774
_cell_length_c   47.98424951
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   62.43366819
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe
_chemical_formula_sum   Fe34
_cell_volume   918.138774569
_cell_formula_units_Z   34
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  0.340900  0.382575  0.277572  1
  Fe  Fe2  1  0.628852  0.805389  0.288983  1
  Fe  Fe3  1  0.908066  0.245906  0.301450  1
  Fe  Fe4  1  0.176141  0.705505  0.316874  1
  Fe  Fe5  1  0.451422  0.153481  0.329002  1
  Fe  Fe6  1  0.727536  0.601293  0.341745  1
  Fe  Fe7  1  0.999361  0.054990  0.355624  1
  Fe  Fe8  1  0.274221  0.502694  0.368818  1
  Fe  Fe9  1  0.549281  0.951282  0.381857  1
  Fe  Fe10  1  0.822832  0.402151  0.395267  1
  Fe  Fe11  1  0.097176  0.851437  0.408524  1
  Fe  Fe12  1  0.371745  0.300467  0.421736  1
  Fe  Fe13  1  0.645854  0.750308  0.435035  1
  Fe  Fe14  1  0.920129  0.199819  0.448298  1
  Fe  Fe15  1  0.194502  0.649191  0.461542  1
  Fe  Fe16  1  0.468744  0.098774  0.474818  1
  Fe  Fe17  1  0.743013  0.548306  0.488085  1
  Fe  Fe18  1  0.017350  0.997739  0.501336  1
  Fe  Fe19  1  0.291619  0.447272  0.514604  1
  Fe  Fe20  1  0.565861  0.896855  0.527880  1
  Fe  Fe21  1  0.840235  0.346227  0.541123  1
  Fe  Fe22  1  0.114510  0.795738  0.554387  1
  Fe  Fe23  1  0.388618  0.245579  0.567686  1
  Fe  Fe24  1  0.663187  0.694609  0.580898  1
  Fe  Fe25  1  0.937531  0.143895  0.594155  1
  Fe  Fe26  1  0.211083  0.594764  0.607565  1
  Fe  Fe27  1  0.486142  0.043352  0.620603  1
  Fe  Fe28  1  0.761002  0.491056  0.633798  1
  Fe  Fe29  1  0.032828  0.944753  0.647676  1
  Fe  Fe30  1  0.308941  0.392565  0.660420  1
  Fe  Fe31  1  0.584223  0.840541  0.672547  1
  Fe  Fe32  1  0.852297  0.300139  0.687971  1
  Fe  Fe33  1  0.131512  0.740657  0.700439  1
  Fe  Fe34  1  0.419463  0.163471  0.711850  1
