# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.83059456
_cell_length_b   10.30916311
_cell_length_c   47.66782870
_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   1390.99781693
_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  0.504366  0.177739  0.320741  1
  Fe  Fe2  1  0.504366  0.956207  0.285804  1
  Fe  Fe3  1  0.504366  0.564658  0.302142  1
  Fe  Fe4  1  0.004366  0.368771  0.309925  1
  Fe  Fe5  1  0.004366  0.154328  0.278856  1
  Fe  Fe6  1  0.004366  0.760001  0.293873  1
  Fe  Fe7  1  0.504366  0.025342  0.369392  1
  Fe  Fe8  1  0.504366  0.794765  0.335575  1
  Fe  Fe9  1  0.504366  0.410202  0.351978  1
  Fe  Fe10  1  0.004366  0.218851  0.361508  1
  Fe  Fe11  1  0.004366  0.986694  0.327615  1
  Fe  Fe12  1  0.004366  0.602287  0.343719  1
  Fe  Fe13  1  0.504366  0.871221  0.419101  1
  Fe  Fe14  1  0.504366  0.640504  0.385536  1
  Fe  Fe15  1  0.504366  0.256649  0.402862  1
  Fe  Fe16  1  0.004366  0.063844  0.411019  1
  Fe  Fe17  1  0.004366  0.832785  0.377365  1
  Fe  Fe18  1  0.004366  0.448496  0.393934  1
  Fe  Fe19  1  0.504366  0.717191  0.469061  1
  Fe  Fe20  1  0.504366  0.486776  0.435756  1
  Fe  Fe21  1  0.504366  0.102152  0.452658  1
  Fe  Fe22  1  0.004366  0.909586  0.460804  1
  Fe  Fe23  1  0.004366  0.678866  0.427321  1
  Fe  Fe24  1  0.004366  0.294721  0.444405  1
  Fe  Fe25  1  0.504366  0.563318  0.519276  1
  Fe  Fe26  1  0.504366  0.332912  0.486043  1
  Fe  Fe27  1  0.504366  0.947909  0.502483  1
  Fe  Fe28  1  0.004366  0.755456  0.510756  1
  Fe  Fe29  1  0.004366  0.525049  0.477523  1
  Fe  Fe30  1  0.004366  0.140458  0.494316  1
  Fe  Fe31  1  0.504366  0.409501  0.569479  1
  Fe  Fe32  1  0.504366  0.178781  0.535996  1
  Fe  Fe33  1  0.504366  0.793646  0.552394  1
  Fe  Fe34  1  0.004366  0.601591  0.561044  1
  Fe  Fe35  1  0.004366  0.371177  0.527739  1
  Fe  Fe36  1  0.004366  0.986215  0.544141  1
  Fe  Fe37  1  0.504366  0.255582  0.619435  1
  Fe  Fe38  1  0.504366  0.024524  0.585780  1
  Fe  Fe39  1  0.504366  0.639872  0.602866  1
  Fe  Fe40  1  0.004366  0.447864  0.611264  1
  Fe  Fe41  1  0.004366  0.217147  0.577699  1
  Fe  Fe42  1  0.004366  0.831719  0.593937  1
  Fe  Fe43  1  0.504366  0.101674  0.669184  1
  Fe  Fe44  1  0.504366  0.869517  0.635292  1
  Fe  Fe45  1  0.504366  0.486080  0.653081  1
  Fe  Fe46  1  0.004366  0.293603  0.661224  1
  Fe  Fe47  1  0.004366  0.063026  0.627407  1
  Fe  Fe48  1  0.004366  0.678166  0.644821  1
  Fe  Fe49  1  0.504366  0.934040  0.717944  1
  Fe  Fe50  1  0.504366  0.719596  0.686874  1
  Fe  Fe51  1  0.504366  0.328367  0.702926  1
  Fe  Fe52  1  0.004366  0.132161  0.710996  1
  Fe  Fe53  1  0.004366  0.910628  0.676058  1
  Fe  Fe54  1  0.004366  0.523710  0.694658  1
