# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.05772890
_cell_length_b   6.38595946
_cell_length_c   47.70400634
_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   1172.69559373
_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  0.659404  0.441522  0.295928  1
  Fe  Fe2  1  0.876478  0.876445  0.315391  1
  Fe  Fe3  1  0.050326  0.222647  0.287965  1
  Fe  Fe4  1  0.265601  0.654432  0.305669  1
  Fe  Fe5  1  0.100008  0.323639  0.335940  1
  Fe  Fe6  1  0.322542  0.769079  0.355232  1
  Fe  Fe7  1  0.488650  0.100886  0.323943  1
  Fe  Fe8  1  0.710852  0.545538  0.345531  1
  Fe  Fe9  1  0.543203  0.210719  0.375061  1
  Fe  Fe10  1  0.765852  0.656293  0.395471  1
  Fe  Fe11  1  0.932494  0.989156  0.365245  1
  Fe  Fe12  1  0.155029  0.434478  0.385579  1
  Fe  Fe13  1  0.987541  0.099985  0.415394  1
  Fe  Fe14  1  0.209639  0.544464  0.435566  1
  Fe  Fe15  1  0.376728  0.878204  0.405413  1
  Fe  Fe16  1  0.598486  0.322023  0.425387  1
  Fe  Fe17  1  0.431527  0.988548  0.455532  1
  Fe  Fe18  1  0.653413  0.432615  0.475572  1
  Fe  Fe19  1  0.820591  0.766523  0.445542  1
  Fe  Fe20  1  0.042419  0.210483  0.465537  1
  Fe  Fe21  1  0.875386  0.876855  0.495647  1
  Fe  Fe22  1  0.097268  0.320917  0.515653  1
  Fe  Fe23  1  0.264447  0.654828  0.485643  1
  Fe  Fe24  1  0.486328  0.098890  0.505649  1
  Fe  Fe25  1  0.319295  0.765262  0.535759  1
  Fe  Fe26  1  0.541123  0.209222  0.555753  1
  Fe  Fe27  1  0.708302  0.543130  0.525724  1
  Fe  Fe28  1  0.930187  0.987197  0.545763  1
  Fe  Fe29  1  0.763228  0.653722  0.575909  1
  Fe  Fe30  1  0.984987  0.097541  0.595882  1
  Fe  Fe31  1  0.152075  0.431281  0.565729  1
  Fe  Fe32  1  0.374173  0.875760  0.585901  1
  Fe  Fe33  1  0.206686  0.541266  0.615717  1
  Fe  Fe34  1  0.429220  0.986589  0.636050  1
  Fe  Fe35  1  0.595862  0.319452  0.605825  1
  Fe  Fe36  1  0.818511  0.765026  0.626234  1
  Fe  Fe37  1  0.650862  0.430207  0.655764  1
  Fe  Fe38  1  0.873065  0.874859  0.677352  1
  Fe  Fe39  1  0.039172  0.206666  0.646063  1
  Fe  Fe40  1  0.261706  0.652106  0.665355  1
  Fe  Fe41  1  0.096113  0.321313  0.695626  1
  Fe  Fe42  1  0.311388  0.753097  0.713330  1
  Fe  Fe43  1  0.485236  0.099300  0.685904  1
  Fe  Fe44  1  0.702310  0.534223  0.705367  1
