# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.51307791
_cell_length_b   7.76956590
_cell_length_c   48.99250759
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   99.25431403
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe
_chemical_formula_sum   Fe36
_cell_volume   944.153489972
_cell_formula_units_Z   36
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  0.908099  0.813248  0.341490  1
  Fe  Fe2  1  0.156180  0.309360  0.293491  1
  Fe  Fe3  1  0.526552  0.049805  0.314989  1
  Fe  Fe4  1  0.375492  0.748712  0.297751  1
  Fe  Fe5  1  0.758941  0.515644  0.322548  1
  Fe  Fe6  1  0.135934  0.269613  0.343665  1
  Fe  Fe7  1  0.048488  0.094228  0.412012  1
  Fe  Fe8  1  0.287762  0.572842  0.365248  1
  Fe  Fe9  1  0.667762  0.332605  0.387983  1
  Fe  Fe10  1  0.518555  0.035048  0.367899  1
  Fe  Fe11  1  0.898731  0.795334  0.392528  1
  Fe  Fe12  1  0.277969  0.553863  0.416260  1
  Fe  Fe13  1  0.189262  0.375863  0.483598  1
  Fe  Fe14  1  0.428816  0.854820  0.436141  1
  Fe  Fe15  1  0.809012  0.615232  0.459884  1
  Fe  Fe16  1  0.658226  0.314553  0.439842  1
  Fe  Fe17  1  0.038798  0.075704  0.463742  1
  Fe  Fe18  1  0.419016  0.836160  0.487660  1
  Fe  Fe19  1  0.330252  0.657958  0.555256  1
  Fe  Fe20  1  0.569462  0.136351  0.507438  1
  Fe  Fe21  1  0.949680  0.896807  0.531356  1
  Fe  Fe22  1  0.799216  0.596648  0.511500  1
  Fe  Fe23  1  0.179466  0.357279  0.535214  1
  Fe  Fe24  1  0.559663  0.117691  0.558957  1
  Fe  Fe25  1  0.469923  0.937463  0.627199  1
  Fe  Fe26  1  0.710509  0.418648  0.578838  1
  Fe  Fe27  1  0.089747  0.177177  0.602570  1
  Fe  Fe28  1  0.939991  0.878283  0.583086  1
  Fe  Fe29  1  0.320716  0.639907  0.607115  1
  Fe  Fe30  1  0.700717  0.399669  0.629850  1
  Fe  Fe31  1  0.612987  0.223800  0.697347  1
  Fe  Fe32  1  0.852544  0.702898  0.651433  1
  Fe  Fe33  1  0.229538  0.456867  0.672550  1
  Fe  Fe34  1  0.080380  0.159263  0.653608  1
  Fe  Fe35  1  0.461927  0.922706  0.680109  1
  Fe  Fe36  1  0.832298  0.663151  0.701607  1
