# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.01549230
_cell_length_b   8.44245756
_cell_length_c   50.83499990
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   105.13057537
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe
_chemical_formula_sum   Fe64
_cell_volume   1663.59604336
_cell_formula_units_Z   64
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  0.301505  0.961143  0.239352  1
  Fe  Fe2  1  0.538045  0.428992  0.252568  1
  Fe  Fe3  1  0.918295  0.189933  0.246060  1
  Fe  Fe4  1  0.157652  0.669701  0.258877  1
  Fe  Fe5  1  0.774694  0.908677  0.266407  1
  Fe  Fe6  1  1.021378  0.398099  0.281355  1
  Fe  Fe7  1  0.401003  0.157605  0.274765  1
  Fe  Fe8  1  0.641161  0.638736  0.287905  1
  Fe  Fe9  1  0.261041  0.881317  0.294360  1
  Fe  Fe10  1  0.505048  0.367577  0.308864  1
  Fe  Fe11  1  0.882317  0.122755  0.301532  1
  Fe  Fe12  1  0.125748  0.609876  0.315566  1
  Fe  Fe13  1  0.745396  0.851143  0.322438  1
  Fe  Fe14  1  0.987930  0.335603  0.336487  1
  Fe  Fe15  1  0.366571  0.093122  0.329490  1
  Fe  Fe16  1  0.609126  0.578584  0.343502  1
  Fe  Fe17  1  0.229447  0.820573  0.350363  1
  Fe  Fe18  1  0.471634  0.305034  0.364317  1
  Fe  Fe19  1  0.850424  0.062621  0.357319  1
  Fe  Fe20  1  0.092560  0.547415  0.371270  1
  Fe  Fe21  1  0.713319  0.789861  0.378239  1
  Fe  Fe22  1  0.955288  0.274279  0.392147  1
  Fe  Fe23  1  0.334239  0.032007  0.385188  1
  Fe  Fe24  1  0.576243  0.516665  0.399116  1
  Fe  Fe25  1  0.197019  0.758953  0.406071  1
  Fe  Fe26  1  0.439001  0.243573  0.419994  1
  Fe  Fe27  1  0.817997  1.001290  0.413036  1
  Fe  Fe28  1  1.059919  0.485869  0.426953  1
  Fe  Fe29  1  0.680769  0.728202  0.433916  1
  Fe  Fe30  1  0.922706  0.212815  0.447837  1
  Fe  Fe31  1  0.301705  0.970499  0.440876  1
  Fe  Fe32  1  0.543640  0.455128  0.454798  1
  Fe  Fe33  1  0.164484  0.697423  0.461758  1
  Fe  Fe34  1  0.406419  0.182051  0.475680  1
  Fe  Fe35  1  0.785419  0.939735  0.468718  1
  Fe  Fe36  1  1.027355  0.424348  0.482639  1
  Fe  Fe37  1  0.648205  0.666681  0.489603  1
  Fe  Fe38  1  0.890127  0.151260  0.503519  1
  Fe  Fe39  1  0.269124  0.908977  0.496562  1
  Fe  Fe40  1  0.511106  0.393597  0.510484  1
  Fe  Fe41  1  0.131881  0.635885  0.517439  1
  Fe  Fe42  1  0.373886  0.120543  0.531368  1
  Fe  Fe43  1  0.752837  0.878271  0.524409  1
  Fe  Fe44  1  0.994806  0.362689  0.538317  1
  Fe  Fe45  1  0.615564  0.605135  0.545286  1
  Fe  Fe46  1  0.857701  0.089929  0.559236  1
  Fe  Fe47  1  0.236490  0.847516  0.552238  1
  Fe  Fe48  1  0.478677  0.331978  0.566193  1
  Fe  Fe49  1  0.098999  0.573966  0.573054  1
  Fe  Fe50  1  0.341554  0.059428  0.587066  1
  Fe  Fe51  1  0.720195  0.816947  0.580069  1
  Fe  Fe52  1  0.962729  0.301407  0.594118  1
  Fe  Fe53  1  0.582376  0.542674  0.600990  1
  Fe  Fe54  1  0.825807  0.029795  0.615024  1
  Fe  Fe55  1  0.203076  0.784973  0.607691  1
  Fe  Fe56  1  0.447083  0.271234  0.622196  1
  Fe  Fe57  1  1.066964  0.513814  0.628650  1
  Fe  Fe58  1  0.307122  0.994945  0.641791  1
  Fe  Fe59  1  0.686746  0.754452  0.635200  1
  Fe  Fe60  1  0.933431  0.243873  0.650148  1
  Fe  Fe61  1  0.550473  0.482849  0.657678  1
  Fe  Fe62  1  0.789830  0.962617  0.670496  1
  Fe  Fe63  1  0.170080  0.723558  0.663987  1
  Fe  Fe64  1  0.406620  0.191407  0.677203  1
