# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.46503312
_cell_length_b   4.90463657
_cell_length_c   47.44313053
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   117.32808663
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe
_chemical_formula_sum   Fe34
_cell_volume   923.016868826
_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  0.746666  0.297420  0.283061  1
  Fe  Fe2  1  0.305806  0.754205  0.294193  1
  Fe  Fe3  1  0.197460  0.206245  0.306654  1
  Fe  Fe4  1  0.757239  0.668047  0.319910  1
  Fe  Fe5  1  0.648153  0.119358  0.333647  1
  Fe  Fe6  1  0.209553  0.573866  0.345778  1
  Fe  Fe7  1  0.104331  0.031455  0.359330  1
  Fe  Fe8  1  0.666611  0.487891  0.372521  1
  Fe  Fe9  1  0.556826  0.940827  0.385776  1
  Fe  Fe10  1  0.120919  0.396390  0.398874  1
  Fe  Fe11  1  0.013039  0.851823  0.412120  1
  Fe  Fe12  1  0.576597  0.306942  0.425333  1
  Fe  Fe13  1  0.467875  0.761716  0.438536  1
  Fe  Fe14  1  0.031635  0.216961  0.451738  1
  Fe  Fe15  1  0.923237  0.672058  0.464933  1
  Fe  Fe16  1  0.486890  0.127182  0.478155  1
  Fe  Fe17  1  0.378405  0.582213  0.491345  1
  Fe  Fe18  1  0.942092  0.037381  0.504561  1
  Fe  Fe19  1  0.833607  0.492412  0.517752  1
  Fe  Fe20  1  0.397260  0.947536  0.530973  1
  Fe  Fe21  1  0.288862  0.402633  0.544169  1
  Fe  Fe22  1  0.852622  0.857878  0.557371  1
  Fe  Fe23  1  0.743900  0.312652  0.570573  1
  Fe  Fe24  1  0.307458  0.767770  0.583786  1
  Fe  Fe25  1  0.199578  0.223204  0.597033  1
  Fe  Fe26  1  0.763671  0.678767  0.610131  1
  Fe  Fe27  1  0.653886  0.131703  0.623386  1
  Fe  Fe28  1  0.216166  0.588139  0.636577  1
  Fe  Fe29  1  0.110944  0.045728  0.650129  1
  Fe  Fe30  1  0.672343  0.500236  0.662260  1
  Fe  Fe31  1  0.563258  0.951547  0.675997  1
  Fe  Fe32  1  0.123037  0.413349  0.689253  1
  Fe  Fe33  1  0.014691  0.865389  0.701714  1
  Fe  Fe34  1  0.573831  0.322174  0.712846  1
