# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.82801100
_cell_length_b   8.99612516
_cell_length_c   49.19776459
_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   Fe48
_cell_volume   1251.64726029
_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  0.504817  0.904457  0.329706  1
  Fe  Fe2  1  0.504817  0.610053  0.311711  1
  Fe  Fe3  1  0.504817  0.309376  0.290758  1
  Fe  Fe4  1  0.004817  0.101344  0.308796  1
  Fe  Fe5  1  0.004817  0.813200  0.291028  1
  Fe  Fe6  1  0.004817  0.523643  0.273413  1
  Fe  Fe7  1  0.504817  0.805110  0.385017  1
  Fe  Fe8  1  0.504817  0.503336  0.366103  1
  Fe  Fe9  1  0.504817  0.203492  0.346755  1
  Fe  Fe10  1  0.004817  0.005829  0.366237  1
  Fe  Fe11  1  0.004817  0.705474  0.348403  1
  Fe  Fe12  1  0.004817  0.405062  0.328846  1
  Fe  Fe13  1  0.504817  0.702818  0.440082  1
  Fe  Fe14  1  0.504817  0.402593  0.421354  1
  Fe  Fe15  1  0.504817  0.104116  0.403119  1
  Fe  Fe16  1  0.004817  0.903949  0.421802  1
  Fe  Fe17  1  0.004817  0.603303  0.403115  1
  Fe  Fe18  1  0.004817  0.302800  0.384178  1
  Fe  Fe19  1  0.504817  0.601483  0.495411  1
  Fe  Fe20  1  0.504817  0.302240  0.477036  1
  Fe  Fe21  1  0.504817  0.002981  0.458690  1
  Fe  Fe22  1  0.004817  0.802170  0.477044  1
  Fe  Fe23  1  0.004817  0.502138  0.458414  1
  Fe  Fe24  1  0.004817  0.203085  0.440068  1
  Fe  Fe25  1  0.504817  0.500583  0.550978  1
  Fe  Fe26  1  0.504817  0.201529  0.532632  1
  Fe  Fe27  1  0.504817  0.901498  0.514002  1
  Fe  Fe28  1  0.004817  0.700687  0.532356  1
  Fe  Fe29  1  0.004817  0.401428  0.514010  1
  Fe  Fe30  1  0.004817  0.102185  0.495635  1
  Fe  Fe31  1  0.504817  0.400868  0.606868  1
  Fe  Fe32  1  0.504817  0.100365  0.587931  1
  Fe  Fe33  1  0.504817  0.799719  0.569244  1
  Fe  Fe34  1  0.004817  0.599552  0.587927  1
  Fe  Fe35  1  0.004817  0.301074  0.569691  1
  Fe  Fe36  1  0.004817  1.000850  0.550964  1
  Fe  Fe37  1  0.504817  0.298605  0.662200  1
  Fe  Fe38  1  0.504817  0.998194  0.642643  1
  Fe  Fe39  1  0.504817  0.697838  0.624809  1
  Fe  Fe40  1  0.004817  0.500176  0.644291  1
  Fe  Fe41  1  0.004817  0.200331  0.624943  1
  Fe  Fe42  1  0.004817  0.898558  0.606029  1
  Fe  Fe43  1  0.504817  0.180025  0.717633  1
  Fe  Fe44  1  0.504817  0.890467  0.700017  1
  Fe  Fe45  1  0.504817  0.602324  0.682250  1
  Fe  Fe46  1  0.004817  0.394292  0.700288  1
  Fe  Fe47  1  0.004817  0.093614  0.679335  1
  Fe  Fe48  1  0.004817  0.799211  0.661339  1
