# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.57594174
_cell_length_b   8.02166119
_cell_length_c   49.91039201
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   80.69304292
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe
_chemical_formula_sum   Fe36
_cell_volume   1017.73885376
_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  0.124656  0.763672  0.341027  1
  Fe  Fe2  1  0.886202  0.241938  0.294297  1
  Fe  Fe3  1  0.506634  1.001649  0.316578  1
  Fe  Fe4  1  0.655174  0.701617  0.298260  1
  Fe  Fe5  1  0.275075  0.462951  0.320764  1
  Fe  Fe6  1  0.895203  0.222004  0.344849  1
  Fe  Fe7  1  0.986393  0.039825  0.412204  1
  Fe  Fe8  1  0.745640  0.521878  0.364308  1
  Fe  Fe9  1  0.365639  0.281516  0.388474  1
  Fe  Fe10  1  0.514863  0.982717  0.368411  1
  Fe  Fe11  1  0.135569  0.740762  0.392410  1
  Fe  Fe12  1  0.755823  0.500273  0.416196  1
  Fe  Fe13  1  0.847629  0.316670  0.483828  1
  Fe  Fe14  1  0.606664  0.799007  0.436136  1
  Fe  Fe15  1  0.227227  0.557716  0.459956  1
  Fe  Fe16  1  0.376365  0.258843  0.440078  1
  Fe  Fe17  1  0.996745  0.017901  0.463928  1
  Fe  Fe18  1  0.617230  0.776700  0.487792  1
  Fe  Fe19  1  0.708948  0.593408  0.555392  1
  Fe  Fe20  1  0.468083  0.075552  0.507679  1
  Fe  Fe21  1  0.088568  0.834351  0.531542  1
  Fe  Fe22  1  0.237684  0.535582  0.511642  1
  Fe  Fe23  1  0.858086  0.294535  0.535514  1
  Fe  Fe24  1  0.478649  0.053245  0.559335  1
  Fe  Fe25  1  0.570450  0.869535  0.627060  1
  Fe  Fe26  1  0.329490  0.351979  0.579275  1
  Fe  Fe27  1  0.949744  0.111490  0.603060  1
  Fe  Fe28  1  0.098920  0.812427  0.583267  1
  Fe  Fe29  1  0.719674  0.570736  0.606997  1
  Fe  Fe30  1  0.339673  0.330374  0.631162  1
  Fe  Fe31  1  0.430139  0.150635  0.697210  1
  Fe  Fe32  1  0.190110  0.630247  0.650621  1
  Fe  Fe33  1  0.810238  0.389301  0.674706  1
  Fe  Fe34  1  0.960656  0.088580  0.654443  1
  Fe  Fe35  1  0.578679  0.850603  0.678892  1
  Fe  Fe36  1  0.199111  0.610314  0.701173  1
