# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.04311869
_cell_length_b   6.35803236
_cell_length_c   47.70898820
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   108.43494882
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe
_chemical_formula_sum   Fe44
_cell_volume   1163.48472437
_cell_formula_units_Z   44
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  0.660480  0.444016  0.293453  1
  Fe  Fe2  1  0.876579  0.876846  0.313936  1
  Fe  Fe3  1  0.044396  0.211005  0.284142  1
  Fe  Fe4  1  0.269930  0.663348  0.303033  1
  Fe  Fe5  1  0.100761  0.325269  0.334061  1
  Fe  Fe6  1  0.322493  0.769067  0.353873  1
  Fe  Fe7  1  0.488950  0.101549  0.322843  1
  Fe  Fe8  1  0.710823  0.545540  0.344227  1
  Fe  Fe9  1  0.543536  0.211445  0.373639  1
  Fe  Fe10  1  0.766004  0.656688  0.393937  1
  Fe  Fe11  1  0.933190  0.990599  0.363977  1
  Fe  Fe12  1  0.154972  0.434470  0.383897  1
  Fe  Fe13  1  0.987865  0.100719  0.413849  1
  Fe  Fe14  1  0.209732  0.544760  0.433812  1
  Fe  Fe15  1  0.376968  0.878770  0.403844  1
  Fe  Fe16  1  0.598694  0.322530  0.423749  1
  Fe  Fe17  1  0.431689  0.988979  0.453782  1
  Fe  Fe18  1  0.653542  0.432993  0.473744  1
  Fe  Fe19  1  0.820715  0.766876  0.443821  1
  Fe  Fe20  1  0.042619  0.210992  0.463773  1
  Fe  Fe21  1  0.875472  0.877158  0.493741  1
  Fe  Fe22  1  0.097391  0.321303  0.513710  1
  Fe  Fe23  1  0.264514  0.655090  0.483747  1
  Fe  Fe24  1  0.486434  0.099236  0.503715  1
  Fe  Fe25  1  0.319287  0.765401  0.533683  1
  Fe  Fe26  1  0.541191  0.209517  0.553636  1
  Fe  Fe27  1  0.708363  0.543400  0.523712  1
  Fe  Fe28  1  0.930217  0.987414  0.543675  1
  Fe  Fe29  1  0.763212  0.653863  0.573707  1
  Fe  Fe30  1  0.984938  0.097623  0.593612  1
  Fe  Fe31  1  0.152173  0.431634  0.563644  1
  Fe  Fe32  1  0.374040  0.875675  0.583607  1
  Fe  Fe33  1  0.206934  0.541923  0.613559  1
  Fe  Fe34  1  0.428716  0.985794  0.633480  1
  Fe  Fe35  1  0.595902  0.319705  0.603519  1
  Fe  Fe36  1  0.818370  0.764948  0.623818  1
  Fe  Fe37  1  0.651083  0.430853  0.653230  1
  Fe  Fe38  1  0.872956  0.874844  0.674614  1
  Fe  Fe39  1  0.039412  0.207326  0.643583  1
  Fe  Fe40  1  0.261145  0.651124  0.663395  1
  Fe  Fe41  1  0.091975  0.313045  0.694423  1
  Fe  Fe42  1  0.317510  0.765388  0.713314  1
  Fe  Fe43  1  0.485327  0.099547  0.683520  1
  Fe  Fe44  1  0.701426  0.532377  0.704003  1
