# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.53737490
_cell_length_b   6.10812674
_cell_length_c   48.91605661
_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   758.130760101
_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  0.505587  0.336516  0.286990  1
  Fe  Fe2  1  1.005587  0.065629  0.315831  1
  Fe  Fe3  1  1.005587  0.657634  0.305564  1
  Fe  Fe4  1  0.505587  0.392149  0.336579  1
  Fe  Fe5  1  0.505587  0.799793  0.347322  1
  Fe  Fe6  1  1.005587  0.533496  0.378710  1
  Fe  Fe7  1  1.005587  0.125884  0.367692  1
  Fe  Fe8  1  0.505587  0.860100  0.399073  1
  Fe  Fe9  1  0.505587  0.266808  0.409992  1
  Fe  Fe10  1  1.005587  0.000495  0.441362  1
  Fe  Fe11  1  1.005587  0.593660  0.430399  1
  Fe  Fe12  1  0.505587  0.327316  0.461725  1
  Fe  Fe13  1  0.505587  0.734073  0.472699  1
  Fe  Fe14  1  1.005587  0.467657  0.504034  1
  Fe  Fe15  1  1.005587  0.060953  0.493069  1
  Fe  Fe16  1  0.505587  0.794537  0.524404  1
  Fe  Fe17  1  0.505587  0.201294  0.535379  1
  Fe  Fe18  1  1.005587  0.934950  0.566704  1
  Fe  Fe19  1  1.005587  0.528115  0.555741  1
  Fe  Fe20  1  0.505587  0.261802  0.587111  1
  Fe  Fe21  1  0.505587  0.668511  0.598031  1
  Fe  Fe22  1  1.005587  0.402727  0.629411  1
  Fe  Fe23  1  1.005587  0.995114  0.618393  1
  Fe  Fe24  1  0.505587  0.728817  0.649781  1
  Fe  Fe25  1  0.505587  0.136461  0.660525  1
  Fe  Fe26  1  1.005587  0.870977  0.691540  1
  Fe  Fe27  1  1.005587  0.462981  0.681273  1
  Fe  Fe28  1  0.505587  0.192094  0.710114  1
