# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.40022561
_cell_length_b   4.91631856
_cell_length_c   47.92582630
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   117.56633181
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe
_chemical_formula_sum   Fe34
_cell_volume   919.07592225
_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  0.689960  0.381449  0.278163  1
  Fe  Fe2  1  0.402007  0.804219  0.289547  1
  Fe  Fe3  1  0.122843  0.244778  0.301987  1
  Fe  Fe4  1  0.854815  0.704641  0.317462  1
  Fe  Fe5  1  0.579608  0.152627  0.329569  1
  Fe  Fe6  1  0.303533  0.600488  0.342296  1
  Fe  Fe7  1  0.031868  0.054347  0.356196  1
  Fe  Fe8  1  0.757108  0.502059  0.369390  1
  Fe  Fe9  1  0.482126  0.950668  0.382425  1
  Fe  Fe10  1  0.208693  0.401618  0.395844  1
  Fe  Fe11  1  0.934463  0.850932  0.409105  1
  Fe  Fe12  1  0.659988  0.299990  0.422317  1
  Fe  Fe13  1  0.385993  0.749883  0.435622  1
  Fe  Fe14  1  0.111826  0.199433  0.448889  1
  Fe  Fe15  1  0.837554  0.648839  0.462135  1
  Fe  Fe16  1  0.563421  0.098466  0.475416  1
  Fe  Fe17  1  0.289260  0.548040  0.488687  1
  Fe  Fe18  1  1.015027  0.997509  0.501941  1
  Fe  Fe19  1  0.740866  0.447082  0.515212  1
  Fe  Fe20  1  0.466733  0.896709  0.528493  1
  Fe  Fe21  1  0.192461  0.346116  0.541739  1
  Fe  Fe22  1  0.918294  0.795666  0.555006  1
  Fe  Fe23  1  0.644299  0.245559  0.568311  1
  Fe  Fe24  1  0.369824  0.694616  0.581523  1
  Fe  Fe25  1  0.095594  0.143930  0.594784  1
  Fe  Fe26  1  0.822162  0.594880  0.608203  1
  Fe  Fe27  1  0.547179  0.043489  0.621238  1
  Fe  Fe28  1  0.272419  0.491201  0.634432  1
  Fe  Fe29  1  1.000754  0.945060  0.648332  1
  Fe  Fe30  1  0.724679  0.392922  0.661059  1
  Fe  Fe31  1  0.449472  0.840908  0.673166  1
  Fe  Fe32  1  0.181444  0.300770  0.688641  1
  Fe  Fe33  1  0.902280  0.741329  0.701081  1
  Fe  Fe34  1  0.614328  0.164099  0.712465  1
