# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.49038786
_cell_length_b   6.00306603
_cell_length_c   48.28152655
_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   Fe28
_cell_volume   721.807024838
_cell_formula_units_Z   28
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  0.505688  0.341098  0.282984  1
  Fe  Fe2  1  1.005688  0.067330  0.313443  1
  Fe  Fe3  1  1.005688  0.669277  0.302784  1
  Fe  Fe4  1  0.505688  0.397237  0.333412  1
  Fe  Fe5  1  0.505688  0.799407  0.345954  1
  Fe  Fe6  1  1.005688  0.531975  0.376396  1
  Fe  Fe7  1  1.005688  0.128758  0.364887  1
  Fe  Fe8  1  0.505688  0.861078  0.396795  1
  Fe  Fe9  1  0.505688  0.266027  0.407609  1
  Fe  Fe10  1  1.005688  0.000266  0.438991  1
  Fe  Fe11  1  1.005688  0.593253  0.427893  1
  Fe  Fe12  1  0.505688  0.327053  0.459155  1
  Fe  Fe13  1  0.505688  0.733815  0.470097  1
  Fe  Fe14  1  1.005688  0.467548  0.501307  1
  Fe  Fe15  1  1.005688  0.060645  0.490438  1
  Fe  Fe16  1  0.505688  0.794378  0.521648  1
  Fe  Fe17  1  0.505688  0.201140  0.532590  1
  Fe  Fe18  1  1.005688  0.934941  0.563852  1
  Fe  Fe19  1  1.005688  0.527927  0.552754  1
  Fe  Fe20  1  0.505688  0.262167  0.584136  1
  Fe  Fe21  1  0.505688  0.667115  0.594950  1
  Fe  Fe22  1  1.005688  0.399436  0.626858  1
  Fe  Fe23  1  1.005688  0.996219  0.615349  1
  Fe  Fe24  1  0.505688  0.728787  0.645791  1
  Fe  Fe25  1  0.505688  0.130956  0.658333  1
  Fe  Fe26  1  1.005688  0.858916  0.688961  1
  Fe  Fe27  1  1.005688  0.460864  0.678302  1
  Fe  Fe28  1  0.505688  0.187095  0.708761  1
