# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.47951056
_cell_length_b   10.42167848
_cell_length_c   45.34506935
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   96.83195450
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe
_chemical_formula_sum   Fe48
_cell_volume   1163.42640179
_cell_formula_units_Z   48
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  0.040901  0.584044  0.296240  1
  Fe  Fe2  1  0.322542  0.147323  0.277239  1
  Fe  Fe3  1  0.641099  0.784442  0.312227  1
  Fe  Fe4  1  0.922709  0.347660  0.293422  1
  Fe  Fe5  1  0.476902  0.456044  0.334744  1
  Fe  Fe6  1  0.758863  0.019962  0.315840  1
  Fe  Fe7  1  0.075315  0.652872  0.349540  1
  Fe  Fe8  1  0.357476  0.217193  0.330822  1
  Fe  Fe9  1  0.912019  0.326279  0.371378  1
  Fe  Fe10  1  0.194570  0.891379  0.353605  1
  Fe  Fe11  1  0.510399  0.523040  0.386787  1
  Fe  Fe12  1  0.792981  0.088204  0.368268  1
  Fe  Fe13  1  0.347647  0.197534  0.408399  1
  Fe  Fe14  1  0.629618  0.761476  0.390069  1
  Fe  Fe15  1  0.945680  0.393602  0.423748  1
  Fe  Fe16  1  0.228099  0.958440  0.405453  1
  Fe  Fe17  1  0.783122  0.068485  0.445355  1
  Fe  Fe18  1  0.065196  0.632633  0.426924  1
  Fe  Fe19  1  0.381112  0.264466  0.460728  1
  Fe  Fe20  1  0.663305  0.828852  0.442326  1
  Fe  Fe21  1  0.218489  0.939219  0.482226  1
  Fe  Fe22  1  0.500675  0.503592  0.463791  1
  Fe  Fe23  1  0.816498  0.135238  0.497659  1
  Fe  Fe24  1  0.098703  0.699648  0.479235  1
  Fe  Fe25  1  0.653922  0.810085  0.519126  1
  Fe  Fe26  1  0.936127  0.374494  0.500702  1
  Fe  Fe27  1  0.251949  0.006141  0.534570  1
  Fe  Fe28  1  0.534136  0.570514  0.516135  1
  Fe  Fe29  1  0.089320  0.680881  0.556035  1
  Fe  Fe30  1  0.371513  0.245267  0.537633  1
  Fe  Fe31  1  0.687429  0.877100  0.571437  1
  Fe  Fe32  1  0.969503  0.441248  0.553006  1
  Fe  Fe33  1  0.524526  0.551293  0.592908  1
  Fe  Fe34  1  0.806945  0.116131  0.574613  1
  Fe  Fe35  1  0.123007  0.748257  0.608292  1
  Fe  Fe36  1  0.404978  0.312199  0.589961  1
  Fe  Fe37  1  0.959643  0.421528  0.630093  1
  Fe  Fe38  1  0.242226  0.986693  0.611574  1
  Fe  Fe39  1  0.558055  0.618353  0.644756  1
  Fe  Fe40  1  0.840606  0.183454  0.626982  1
  Fe  Fe41  1  0.395148  0.292539  0.667539  1
  Fe  Fe42  1  0.677310  0.856861  0.648821  1
  Fe  Fe43  1  0.993762  0.489771  0.682521  1
  Fe  Fe44  1  0.275723  0.053688  0.663616  1
  Fe  Fe45  1  0.829915  0.162072  0.704938  1
  Fe  Fe46  1  0.111526  0.725291  0.686134  1
  Fe  Fe47  1  0.430083  0.362410  0.721121  1
  Fe  Fe48  1  0.711723  0.925689  0.702121  1
