# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.82267802
_cell_length_b   6.39767447
_cell_length_c   42.27633566
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe
_chemical_formula_sum   Fe30
_cell_volume   763.450383409
_cell_formula_units_Z   30
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  0.647165  1.039051  0.362519  1
  Fe  Fe2  1  0.147165  0.728845  0.348172  1
  Fe  Fe3  1  0.647165  0.417346  0.334442  1
  Fe  Fe4  1  0.147165  0.937145  0.408575  1
  Fe  Fe5  1  0.647165  0.637593  0.393919  1
  Fe  Fe6  1  0.147165  0.336934  0.380411  1
  Fe  Fe7  1  0.647165  0.837220  0.454485  1
  Fe  Fe8  1  0.147165  0.536957  0.439611  1
  Fe  Fe9  1  0.647165  0.234648  0.424906  1
  Fe  Fe10  1  0.147165  0.737302  0.500181  1
  Fe  Fe11  1  0.647165  0.436968  0.485149  1
  Fe  Fe12  1  0.147165  0.136131  0.470165  1
  Fe  Fe13  1  0.647165  0.637610  0.545774  1
  Fe  Fe14  1  0.147165  0.337291  0.530684  1
  Fe  Fe15  1  0.647165  1.036840  0.515602  1
  Fe  Fe16  1  0.147165  0.538083  0.591299  1
  Fe  Fe17  1  0.647165  0.237632  0.576216  1
  Fe  Fe18  1  0.147165  0.937313  0.561127  1
  Fe  Fe19  1  0.647165  0.438792  0.636736  1
  Fe  Fe20  1  0.147165  0.137954  0.621752  1
  Fe  Fe21  1  0.647165  0.837620  0.606720  1
  Fe  Fe22  1  0.147165  0.340275  0.681995  1
  Fe  Fe23  1  0.647165  1.037965  0.667290  1
  Fe  Fe24  1  0.147165  0.737702  0.652416  1
  Fe  Fe25  1  0.647165  0.237988  0.726490  1
  Fe  Fe26  1  0.147165  0.937329  0.712982  1
  Fe  Fe27  1  0.647165  0.637777  0.698326  1
  Fe  Fe28  1  0.147165  0.157576  0.772458  1
  Fe  Fe29  1  0.647165  0.846078  0.758729  1
  Fe  Fe30  1  0.147165  0.535871  0.744382  1
