# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.07364412
_cell_length_b   9.12339658
_cell_length_c   47.39559572
_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   Fe66
_cell_volume   1761.47962989
_cell_formula_units_Z   66
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  0.758793  0.121173  0.309684  1
  Fe  Fe2  1  0.758793  0.865675  0.295987  1
  Fe  Fe3  1  0.758793  0.602032  0.283930  1
  Fe  Fe4  1  0.258793  0.231037  0.289962  1
  Fe  Fe5  1  0.258793  0.744668  0.314231  1
  Fe  Fe6  1  0.258793  0.488408  0.302988  1
  Fe  Fe7  1  0.758793  0.889743  0.348048  1
  Fe  Fe8  1  0.758793  0.632998  0.335417  1
  Fe  Fe9  1  0.758793  0.375491  0.321713  1
  Fe  Fe10  1  0.258793  1.002412  0.327037  1
  Fe  Fe11  1  0.258793  0.516275  0.354615  1
  Fe  Fe12  1  0.258793  0.259907  0.341789  1
  Fe  Fe13  1  0.758793  0.659710  0.387557  1
  Fe  Fe14  1  0.758793  0.402775  0.374512  1
  Fe  Fe15  1  0.758793  0.146258  0.361416  1
  Fe  Fe16  1  0.258793  0.772981  0.366319  1
  Fe  Fe17  1  0.258793  0.286158  0.393614  1
  Fe  Fe18  1  0.258793  0.029874  0.379165  1
  Fe  Fe19  1  0.758793  0.441317  0.427728  1
  Fe  Fe20  1  0.758793  0.179972  0.414116  1
  Fe  Fe21  1  0.758793  0.919120  0.400777  1
  Fe  Fe22  1  0.258793  0.539233  0.406730  1
  Fe  Fe23  1  0.258793  0.036498  0.429711  1
  Fe  Fe24  1  0.258793  0.788179  0.417146  1
  Fe  Fe25  1  0.758793  0.310097  0.472172  1
  Fe  Fe26  1  0.758793  0.026946  0.456861  1
  Fe  Fe27  1  0.758793  0.712541  0.440706  1
  Fe  Fe28  1  0.258793  0.279631  0.445135  1
  Fe  Fe29  1  0.258793  0.813007  0.468966  1
  Fe  Fe30  1  0.258793  0.540716  0.457792  1
  Fe  Fe31  1  0.758793  0.136268  0.511904  1
  Fe  Fe32  1  0.758793  0.856961  0.496352  1
  Fe  Fe33  1  0.758793  0.581544  0.484857  1
  Fe  Fe34  1  0.258793  0.091711  0.484164  1
  Fe  Fe35  1  0.258793  0.646435  0.511211  1
  Fe  Fe36  1  0.258793  0.371017  0.499716  1
  Fe  Fe37  1  0.758793  0.948348  0.550933  1
  Fe  Fe38  1  0.758793  0.687263  0.538276  1
  Fe  Fe39  1  0.758793  0.414971  0.527102  1
  Fe  Fe40  1  0.258793  0.917882  0.523896  1
  Fe  Fe41  1  0.258793  0.515438  0.555362  1
  Fe  Fe42  1  0.258793  0.201033  0.539207  1
  Fe  Fe43  1  0.758793  0.688746  0.589338  1
  Fe  Fe44  1  0.758793  0.439800  0.578922  1
  Fe  Fe45  1  0.758793  0.191481  0.566358  1
  Fe  Fe46  1  0.258793  0.786662  0.568340  1
  Fe  Fe47  1  0.258793  0.308859  0.595291  1
  Fe  Fe48  1  0.258793  0.048007  0.581952  1
  Fe  Fe49  1  0.758793  0.454998  0.629749  1
  Fe  Fe50  1  0.758793  0.198105  0.616903  1
  Fe  Fe51  1  0.758793  0.941821  0.602454  1
  Fe  Fe52  1  0.258793  0.568269  0.608511  1
  Fe  Fe53  1  0.258793  0.081721  0.634652  1
  Fe  Fe54  1  0.258793  0.825204  0.621556  1
  Fe  Fe55  1  0.758793  0.225567  0.669031  1
  Fe  Fe56  1  0.758793  0.968072  0.654279  1
  Fe  Fe57  1  0.758793  0.711704  0.641453  1
  Fe  Fe58  1  0.258793  0.338236  0.648020  1
  Fe  Fe59  1  0.258793  0.852488  0.674355  1
  Fe  Fe60  1  0.258793  0.594981  0.660651  1
  Fe  Fe61  1  0.758793  0.996942  0.706106  1
  Fe  Fe62  1  0.758793  0.739571  0.693081  1
  Fe  Fe63  1  0.758793  0.483311  0.681837  1
  Fe  Fe64  1  0.258793  0.106806  0.686384  1
  Fe  Fe65  1  0.258793  0.625947  0.712138  1
  Fe  Fe66  1  0.258793  0.362304  0.700081  1
