# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.55304740
_cell_length_b   3.99586681
_cell_length_c   91.55919196
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   78.46304097
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe
_chemical_formula_sum   Fe44
_cell_volume   1273.64845432
_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  0.860696  0.813063  0.072266  1
  Fe  Fe2  1  0.360696  0.313063  0.072266  1
  Fe  Fe3  1  0.360696  0.813063  0.090158  1
  Fe  Fe4  1  0.860696  0.313063  0.090158  1
  Fe  Fe5  1  0.860696  0.813063  0.107733  1
  Fe  Fe6  1  0.360696  0.313063  0.107733  1
  Fe  Fe7  1  0.360696  0.813063  0.125350  1
  Fe  Fe8  1  0.860696  0.313063  0.125350  1
  Fe  Fe9  1  0.860696  0.813063  0.142973  1
  Fe  Fe10  1  0.360696  0.313063  0.142973  1
  Fe  Fe11  1  0.360696  0.813063  0.160596  1
  Fe  Fe12  1  0.860696  0.313063  0.160596  1
  Fe  Fe13  1  0.860696  0.813063  0.178219  1
  Fe  Fe14  1  0.360696  0.313063  0.178219  1
  Fe  Fe15  1  0.360696  0.813063  0.195842  1
  Fe  Fe16  1  0.860696  0.313063  0.195842  1
  Fe  Fe17  1  0.860696  0.813063  0.213466  1
  Fe  Fe18  1  0.360696  0.313063  0.213466  1
  Fe  Fe19  1  0.360696  0.813063  0.231089  1
  Fe  Fe20  1  0.860696  0.313063  0.231089  1
  Fe  Fe21  1  0.860696  0.813063  0.248712  1
  Fe  Fe22  1  0.360696  0.313063  0.248712  1
  Fe  Fe23  1  0.360696  0.813063  0.266335  1
  Fe  Fe24  1  0.860696  0.313063  0.266335  1
  Fe  Fe25  1  0.860696  0.813063  0.283959  1
  Fe  Fe26  1  0.360696  0.313063  0.283959  1
  Fe  Fe27  1  0.360696  0.813063  0.301582  1
  Fe  Fe28  1  0.860696  0.313063  0.301582  1
  Fe  Fe29  1  0.860696  0.813063  0.319205  1
  Fe  Fe30  1  0.360696  0.313063  0.319205  1
  Fe  Fe31  1  0.360696  0.813063  0.336828  1
  Fe  Fe32  1  0.860696  0.313063  0.336828  1
  Fe  Fe33  1  0.860696  0.813063  0.354452  1
  Fe  Fe34  1  0.360696  0.313063  0.354452  1
  Fe  Fe35  1  0.360696  0.813063  0.372075  1
  Fe  Fe36  1  0.860696  0.313063  0.372075  1
  Fe  Fe37  1  0.860696  0.813063  0.389698  1
  Fe  Fe38  1  0.360696  0.313063  0.389698  1
  Fe  Fe39  1  0.360696  0.813063  0.407315  1
  Fe  Fe40  1  0.860696  0.313063  0.407315  1
  Fe  Fe41  1  0.860696  0.813063  0.424889  1
  Fe  Fe42  1  0.360696  0.313063  0.424889  1
  Fe  Fe43  1  0.360696  0.813063  0.442781  1
  Fe  Fe44  1  0.860696  0.313063  0.442781  1
