# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.44992081
_cell_length_b   7.45008142
_cell_length_c   49.09093739
_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   896.0131643
_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  0.102157  0.125358  0.295208  1
  Fe  Fe2  1  0.756643  0.791529  0.295446  1
  Fe  Fe3  1  0.411128  0.457699  0.295208  1
  Fe  Fe4  1  0.483453  0.963276  0.335327  1
  Fe  Fe5  1  0.029832  0.619781  0.335327  1
  Fe  Fe6  1  0.756643  0.291529  0.335051  1
  Fe  Fe7  1  0.256643  0.791529  0.375418  1
  Fe  Fe8  1  0.530705  0.463015  0.375216  1
  Fe  Fe9  1  -0.017420  0.120043  0.375216  1
  Fe  Fe10  1  0.916267  0.625310  0.415414  1
  Fe  Fe11  1  0.256643  0.291529  0.415297  1
  Fe  Fe12  1  0.597018  0.957748  0.415414  1
  Fe  Fe13  1  0.597009  0.457713  0.455563  1
  Fe  Fe14  1  0.916277  0.125345  0.455563  1
  Fe  Fe15  1  0.256643  0.791529  0.455679  1
  Fe  Fe16  1  0.256643  0.291529  0.495569  1
  Fe  Fe17  1  0.530612  0.963101  0.495753  1
  Fe  Fe18  1  -0.017327  0.619956  0.495753  1
  Fe  Fe19  1  0.030367  0.119963  0.535691  1
  Fe  Fe20  1  0.756643  0.791529  0.535889  1
  Fe  Fe21  1  0.482918  0.463094  0.535691  1
  Fe  Fe22  1  0.414855  0.957815  0.575886  1
  Fe  Fe23  1  0.098430  0.625242  0.575886  1
  Fe  Fe24  1  0.756643  0.291529  0.575770  1
  Fe  Fe25  1  0.756643  0.791529  0.616076  1
  Fe  Fe26  1  0.424705  0.458063  0.616078  1
  Fe  Fe27  1  0.088581  0.124995  0.616078  1
  Fe  Fe28  1  0.090270  0.624839  0.656151  1
  Fe  Fe29  1  0.756643  0.291529  0.656188  1
  Fe  Fe30  1  0.423015  0.958218  0.656151  1
