# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.50194003
_cell_length_b   8.86608843
_cell_length_c   46.24787594
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   104.68746226
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe
_chemical_formula_sum   Fe64
_cell_volume   1785.64526235
_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  0.287300  0.892700  0.283523  1
  Fe  Fe2  1  0.533436  0.381750  0.296573  1
  Fe  Fe3  1  0.729509  0.136544  0.289684  1
  Fe  Fe4  1  0.979941  0.627531  0.302867  1
  Fe  Fe5  1  0.773945  0.871385  0.309441  1
  Fe  Fe6  1  0.017517  0.360039  0.322961  1
  Fe  Fe7  1  0.223247  0.115716  0.316166  1
  Fe  Fe8  1  0.469782  0.604567  0.329751  1
  Fe  Fe9  1  0.259963  0.848183  0.337314  1
  Fe  Fe10  1  0.503661  0.336852  0.350934  1
  Fe  Fe11  1  0.713047  0.092548  0.343992  1
  Fe  Fe12  1  0.958157  0.580715  0.357722  1
  Fe  Fe13  1  0.747367  0.825028  0.364845  1
  Fe  Fe14  1  0.991404  0.313935  0.378690  1
  Fe  Fe15  1  0.202096  0.069719  0.371807  1
  Fe  Fe16  1  0.446940  0.558313  0.385561  1
  Fe  Fe17  1  0.235258  0.802314  0.392752  1
  Fe  Fe18  1  0.479565  0.291123  0.406577  1
  Fe  Fe19  1  0.690885  0.046703  0.399627  1
  Fe  Fe20  1  0.935424  0.535328  0.413476  1
  Fe  Fe21  1  0.723636  0.779562  0.420529  1
  Fe  Fe22  1  0.967903  0.268234  0.434407  1
  Fe  Fe23  1  0.179575  0.023944  0.427480  1
  Fe  Fe24  1  0.423965  0.512569  0.441332  1
  Fe  Fe25  1  0.212075  0.756759  0.448385  1
  Fe  Fe26  1  0.456393  0.245435  0.462265  1
  Fe  Fe27  1  0.668149  1.001099  0.455317  1
  Fe  Fe28  1  0.912490  0.489711  0.469201  1
  Fe  Fe29  1  0.700606  0.733965  0.476218  1
  Fe  Fe30  1  0.944913  0.222598  0.490111  1
  Fe  Fe31  1  0.156716  0.978284  0.483167  1
  Fe  Fe32  1  0.401042  0.466917  0.497052  1
  Fe  Fe33  1  0.189137  0.711144  0.504073  1
  Fe  Fe34  1  0.433462  0.199777  0.517958  1
  Fe  Fe35  1  0.645265  0.955463  0.511014  1
  Fe  Fe36  1  0.889572  0.444096  0.524907  1
  Fe  Fe37  1  0.677688  0.688350  0.531924  1
  Fe  Fe38  1  0.922030  0.176962  0.545808  1
  Fe  Fe39  1  0.133786  0.932626  0.538860  1
  Fe  Fe40  1  0.378103  0.421302  0.552740  1
  Fe  Fe41  1  0.166214  0.665492  0.559792  1
  Fe  Fe42  1  0.410604  0.154117  0.573644  1
  Fe  Fe43  1  0.622275  0.909827  0.566717  1
  Fe  Fe44  1  0.866543  0.398499  0.580596  1
  Fe  Fe45  1  0.654754  0.642733  0.587648  1
  Fe  Fe46  1  0.899293  0.131359  0.601498  1
  Fe  Fe47  1  0.110614  0.886938  0.594548  1
  Fe  Fe48  1  0.354920  0.375747  0.608372  1
  Fe  Fe49  1  0.143239  0.619748  0.615564  1
  Fe  Fe50  1  0.388082  0.108342  0.629318  1
  Fe  Fe51  1  0.598775  0.864126  0.622434  1
  Fe  Fe52  1  0.842812  0.353033  0.636280  1
  Fe  Fe53  1  0.632021  0.597346  0.643403  1
  Fe  Fe54  1  0.877131  0.085513  0.657133  1
  Fe  Fe55  1  0.086518  0.841209  0.650190  1
  Fe  Fe56  1  0.330215  0.329879  0.663811  1
  Fe  Fe57  1  0.120396  0.573494  0.671374  1
  Fe  Fe58  1  0.366932  0.062345  0.684958  1
  Fe  Fe59  1  0.572662  0.818022  0.678163  1
  Fe  Fe60  1  0.816233  0.306676  0.691684  1
  Fe  Fe61  1  0.610237  0.550530  0.698257  1
  Fe  Fe62  1  0.860670  0.041517  0.711441  1
  Fe  Fe63  1  0.056743  0.796311  0.704552  1
  Fe  Fe64  1  0.302878  0.285361  0.717602  1
