# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.11439176
_cell_length_b   4.70929481
_cell_length_c   45.54357140
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   95.79594168
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe
_chemical_formula_sum   Fe60
_cell_volume   1518.08074612
_cell_formula_units_Z   60
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  0.509757  0.951786  0.315500  1
  Fe  Fe2  1  0.850271  0.931049  0.320560  1
  Fe  Fe3  1  0.189563  0.885589  0.332031  1
  Fe  Fe4  1  0.678528  0.457415  0.313039  1
  Fe  Fe5  1  0.012286  0.414356  0.324465  1
  Fe  Fe6  1  0.348559  0.386633  0.330138  1
  Fe  Fe7  1  0.544509  0.698380  0.361310  1
  Fe  Fe8  1  0.879542  0.663505  0.366254  1
  Fe  Fe9  1  0.217981  0.607275  0.377312  1
  Fe  Fe10  1  0.699952  0.201477  0.359081  1
  Fe  Fe11  1  0.038053  0.146579  0.370322  1
  Fe  Fe12  1  0.375469  0.110293  0.375386  1
  Fe  Fe13  1  0.570551  0.428831  0.406818  1
  Fe  Fe14  1  0.906683  0.394986  0.412071  1
  Fe  Fe15  1  0.245508  0.337119  0.423041  1
  Fe  Fe16  1  0.728143  0.933004  0.404793  1
  Fe  Fe17  1  0.066741  0.875579  0.415819  1
  Fe  Fe18  1  0.402959  0.840784  0.421104  1
  Fe  Fe19  1  0.598184  0.159519  0.452435  1
  Fe  Fe20  1  0.934558  0.124810  0.457684  1
  Fe  Fe21  1  0.273201  0.067175  0.468722  1
  Fe  Fe22  1  0.755407  0.663610  0.450464  1
  Fe  Fe23  1  0.094176  0.605850  0.461480  1
  Fe  Fe24  1  0.430435  0.571020  0.466773  1
  Fe  Fe25  1  0.625856  0.889799  0.498067  1
  Fe  Fe26  1  0.962177  0.855026  0.503341  1
  Fe  Fe27  1  0.300863  0.797349  0.514382  1
  Fe  Fe28  1  0.783113  0.393701  0.496097  1
  Fe  Fe29  1  0.121806  0.336042  0.507135  1
  Fe  Fe30  1  0.458110  0.301242  0.512422  1
  Fe  Fe31  1  0.653515  0.620036  0.543708  1
  Fe  Fe32  1  -0.010181  0.585236  0.548995  1
  Fe  Fe33  1  0.328513  0.527577  0.560034  1
  Fe  Fe34  1  0.810763  0.123929  0.541749  1
  Fe  Fe35  1  0.149448  0.066252  0.552789  1
  Fe  Fe36  1  0.485770  0.031479  0.558064  1
  Fe  Fe37  1  0.681191  0.350258  0.589358  1
  Fe  Fe38  1  0.017450  0.315428  0.594651  1
  Fe  Fe39  1  0.356219  0.257668  0.605667  1
  Fe  Fe40  1  0.838425  0.854103  0.587408  1
  Fe  Fe41  1  0.177067  0.796468  0.598447  1
  Fe  Fe42  1  0.513441  0.761759  0.603696  1
  Fe  Fe43  1  0.708667  0.080494  0.635027  1
  Fe  Fe44  1  0.044885  0.045699  0.640312  1
  Fe  Fe45  1  0.383483  0.988274  0.651338  1
  Fe  Fe46  1  0.866118  0.584159  0.633090  1
  Fe  Fe47  1  0.204943  0.526292  0.644059  1
  Fe  Fe48  1  0.541075  0.492447  0.649313  1
  Fe  Fe49  1  0.736157  0.810984  0.680745  1
  Fe  Fe50  1  0.073573  0.774699  0.685808  1
  Fe  Fe51  1  0.411674  0.719801  0.697050  1
  Fe  Fe52  1  0.893645  0.314003  0.678819  1
  Fe  Fe53  1  0.232084  0.257773  0.689877  1
  Fe  Fe54  1  0.567116  0.222898  0.694820  1
  Fe  Fe55  1  0.763067  0.534644  0.725993  1
  Fe  Fe56  1  0.099340  0.506921  0.731666  1
  Fe  Fe57  1  0.433097  0.463863  0.743092  1
  Fe  Fe58  1  0.922063  0.035689  0.724100  1
  Fe  Fe59  1  0.261355  0.990229  0.735571  1
  Fe  Fe60  1  0.601869  0.969492  0.740631  1
