# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.82919104
_cell_length_b   10.30916162
_cell_length_c   47.68098772
_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   Fe54
_cell_volume   1390.69170747
_cell_formula_units_Z   54
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  0.504619  0.177901  0.320623  1
  Fe  Fe2  1  0.504619  0.956310  0.285666  1
  Fe  Fe3  1  0.504619  0.564735  0.301954  1
  Fe  Fe4  1  1.004619  0.369031  0.309787  1
  Fe  Fe5  1  1.004619  0.154219  0.278746  1
  Fe  Fe6  1  1.004619  0.760117  0.293716  1
  Fe  Fe7  1  0.504619  0.025372  0.369280  1
  Fe  Fe8  1  0.504619  0.794865  0.335441  1
  Fe  Fe9  1  0.504619  0.410284  0.351847  1
  Fe  Fe10  1  1.004619  0.218900  0.361379  1
  Fe  Fe11  1  1.004619  0.986824  0.327502  1
  Fe  Fe12  1  1.004619  0.602370  0.343570  1
  Fe  Fe13  1  0.504619  0.871245  0.418969  1
  Fe  Fe14  1  0.504619  0.640551  0.385395  1
  Fe  Fe15  1  0.504619  0.256700  0.402729  1
  Fe  Fe16  1  1.004619  0.063886  0.410894  1
  Fe  Fe17  1  1.004619  0.832826  0.377232  1
  Fe  Fe18  1  1.004619  0.448557  0.393797  1
  Fe  Fe19  1  0.504619  0.717200  0.468925  1
  Fe  Fe20  1  0.504619  0.486807  0.435619  1
  Fe  Fe21  1  0.504619  0.102177  0.452527  1
  Fe  Fe22  1  1.004619  0.909600  0.460670  1
  Fe  Fe23  1  1.004619  0.678891  0.427183  1
  Fe  Fe24  1  1.004619  0.294752  0.444271  1
  Fe  Fe25  1  0.504619  0.563312  0.519141  1
  Fe  Fe26  1  0.504619  0.332924  0.485909  1
  Fe  Fe27  1  0.504619  0.947907  0.502347  1
  Fe  Fe28  1  1.004619  0.755448  0.510620  1
  Fe  Fe29  1  1.004619  0.525060  0.477388  1
  Fe  Fe30  1  1.004619  0.140465  0.494182  1
  Fe  Fe31  1  0.504619  0.409481  0.569345  1
  Fe  Fe32  1  0.504619  0.178772  0.535859  1
  Fe  Fe33  1  0.504619  0.793620  0.552257  1
  Fe  Fe34  1  1.004619  0.601565  0.560909  1
  Fe  Fe35  1  1.004619  0.371172  0.527604  1
  Fe  Fe36  1  1.004619  0.986195  0.544002  1
  Fe  Fe37  1  0.504619  0.255546  0.619296  1
  Fe  Fe38  1  0.504619  0.024486  0.585635  1
  Fe  Fe39  1  0.504619  0.639815  0.602731  1
  Fe  Fe40  1  1.004619  0.447821  0.611134  1
  Fe  Fe41  1  1.004619  0.217127  0.577560  1
  Fe  Fe42  1  1.004619  0.831672  0.593800  1
  Fe  Fe43  1  0.504619  0.101548  0.669026  1
  Fe  Fe44  1  0.504619  0.869472  0.635150  1
  Fe  Fe45  1  0.504619  0.486002  0.652959  1
  Fe  Fe46  1  1.004619  0.293506  0.661088  1
  Fe  Fe47  1  1.004619  0.063000  0.627249  1
  Fe  Fe48  1  1.004619  0.678088  0.644682  1
  Fe  Fe49  1  0.504619  0.934152  0.717782  1
  Fe  Fe50  1  0.504619  0.719340  0.686742  1
  Fe  Fe51  1  0.504619  0.328255  0.702813  1
  Fe  Fe52  1  1.004619  0.132062  0.710863  1
  Fe  Fe53  1  1.004619  0.910471  0.675906  1
  Fe  Fe54  1  1.004619  0.523637  0.694575  1
