# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.23977948
_cell_length_b   6.87609441
_cell_length_c   45.94951544
_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   Fe48
_cell_volume   1339.57192053
_cell_formula_units_Z   48
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  0.751129  0.145363  0.321058  1
  Fe  Fe2  1  0.751129  0.858609  0.285679  1
  Fe  Fe3  1  0.751129  0.504161  0.303497  1
  Fe  Fe4  1  0.251129  0.065345  0.291466  1
  Fe  Fe5  1  0.251129  0.713774  0.309012  1
  Fe  Fe6  1  0.251129  0.357417  0.327069  1
  Fe  Fe7  1  0.751129  0.072579  0.376779  1
  Fe  Fe8  1  0.751129  0.787708  0.339874  1
  Fe  Fe9  1  0.751129  0.429312  0.358190  1
  Fe  Fe10  1  0.251129  0.000865  0.345897  1
  Fe  Fe11  1  0.251129  0.643164  0.364335  1
  Fe  Fe12  1  0.251129  0.286768  0.382893  1
  Fe  Fe13  1  0.751129  1.000546  0.432434  1
  Fe  Fe14  1  0.751129  0.714893  0.395348  1
  Fe  Fe15  1  0.751129  0.357786  0.413872  1
  Fe  Fe16  1  0.251129  0.929391  0.401502  1
  Fe  Fe17  1  0.251129  0.572313  0.420071  1
  Fe  Fe18  1  0.251129  0.215181  0.438616  1
  Fe  Fe19  1  0.751129  0.929019  0.488115  1
  Fe  Fe20  1  0.751129  0.643355  0.451002  1
  Fe  Fe21  1  0.751129  0.286180  0.469547  1
  Fe  Fe22  1  0.251129  0.858025  0.457196  1
  Fe  Fe23  1  0.251129  0.500839  0.475761  1
  Fe  Fe24  1  0.251129  0.143707  0.494316  1
  Fe  Fe25  1  0.751129  0.857517  0.543801  1
  Fe  Fe26  1  0.751129  0.571836  0.506681  1
  Fe  Fe27  1  0.751129  0.214703  0.525235  1
  Fe  Fe28  1  0.251129  0.786523  0.512882  1
  Fe  Fe29  1  0.251129  0.429362  0.531450  1
  Fe  Fe30  1  0.251129  0.072187  0.549995  1
  Fe  Fe31  1  0.751129  0.786151  0.599495  1
  Fe  Fe32  1  0.751129  0.500361  0.562381  1
  Fe  Fe33  1  0.751129  0.143229  0.580925  1
  Fe  Fe34  1  0.251129  0.714996  0.568563  1
  Fe  Fe35  1  0.251129  0.357756  0.587124  1
  Fe  Fe36  1  0.251129  0.000649  0.605649  1
  Fe  Fe37  1  0.751129  0.714677  0.655100  1
  Fe  Fe38  1  0.751129  0.428774  0.618104  1
  Fe  Fe39  1  0.751129  0.072378  0.636662  1
  Fe  Fe40  1  0.251129  0.642963  0.624217  1
  Fe  Fe41  1  0.251129  0.286230  0.642806  1
  Fe  Fe42  1  0.251129  0.927834  0.661122  1
  Fe  Fe43  1  0.751129  0.650197  0.709530  1
  Fe  Fe44  1  0.751129  0.358125  0.673927  1
  Fe  Fe45  1  0.751129  0.001769  0.691985  1
  Fe  Fe46  1  0.251129  0.570179  0.679939  1
  Fe  Fe47  1  0.251129  0.211381  0.697500  1
  Fe  Fe48  1  0.251129  0.856933  0.715318  1
