# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.86822520
_cell_length_b   4.96674131
_cell_length_c   48.21560793
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   95.66389843
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe
_chemical_formula_sum   Fe60
_cell_volume   1636.73464603
_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  0.441771  0.108370  0.282152  1
  Fe  Fe2  1  0.788300  0.017011  0.296437  1
  Fe  Fe3  1  0.139476  0.927825  0.310952  1
  Fe  Fe4  1  0.546183  0.622575  0.279801  1
  Fe  Fe5  1  0.893871  0.532201  0.294220  1
  Fe  Fe6  1  0.246205  0.442820  0.308565  1
  Fe  Fe7  1  0.489533  0.839895  0.326538  1
  Fe  Fe8  1  0.841070  0.752195  0.341468  1
  Fe  Fe9  1  0.191328  0.663197  0.356507  1
  Fe  Fe10  1  0.598076  0.354927  0.324097  1
  Fe  Fe11  1  0.949209  0.265723  0.338909  1
  Fe  Fe12  1  0.298990  0.177816  0.353997  1
  Fe  Fe13  1  0.542322  0.574675  0.371939  1
  Fe  Fe14  1  0.893344  0.486374  0.386973  1
  Fe  Fe15  1  0.244025  0.397964  0.402130  1
  Fe  Fe16  1  0.650414  0.089273  0.369414  1
  Fe  Fe17  1  1.001154  1.000834  0.384507  1
  Fe  Fe18  1  0.351695  0.912604  0.399631  1
  Fe  Fe19  1  0.594958  0.309368  0.417398  1
  Fe  Fe20  1  0.945802  0.221079  0.432529  1
  Fe  Fe21  1  0.296572  0.132616  0.447696  1
  Fe  Fe22  1  0.702738  0.823942  0.414898  1
  Fe  Fe23  1  0.053512  0.735507  0.430039  1
  Fe  Fe24  1  0.404263  0.647178  0.445198  1
  Fe  Fe25  1  0.647448  0.044097  0.462913  1
  Fe  Fe26  1  0.998276  0.955725  0.478072  1
  Fe  Fe27  1  0.349080  0.867285  0.493242  1
  Fe  Fe28  1  0.755168  0.558644  0.460418  1
  Fe  Fe29  1  0.105982  0.470217  0.475581  1
  Fe  Fe30  1  0.456780  0.381827  0.490747  1
  Fe  Fe31  1  0.699952  0.778784  0.508448  1
  Fe  Fe32  1  0.050751  0.690395  0.523614  1
  Fe  Fe33  1  0.401565  0.601967  0.538777  1
  Fe  Fe34  1  0.807652  0.293326  0.505952  1
  Fe  Fe35  1  0.158457  0.204887  0.521123  1
  Fe  Fe36  1  0.509285  0.116514  0.536281  1
  Fe  Fe37  1  0.752470  0.513433  0.553997  1
  Fe  Fe38  1  0.103221  0.425104  0.569156  1
  Fe  Fe39  1  0.453995  0.336669  0.584297  1
  Fe  Fe40  1  0.860161  0.027995  0.551499  1
  Fe  Fe41  1  0.210930  0.939533  0.566665  1
  Fe  Fe42  1  0.561775  0.851243  0.581797  1
  Fe  Fe43  1  0.805038  0.248007  0.599564  1
  Fe  Fe44  1  0.155579  0.159777  0.614688  1
  Fe  Fe45  1  0.506319  0.071338  0.629780  1
  Fe  Fe46  1  0.912708  0.762647  0.597065  1
  Fe  Fe47  1  0.263388  0.674237  0.612222  1
  Fe  Fe48  1  0.614411  0.585936  0.627256  1
  Fe  Fe49  1  0.857743  0.982795  0.645198  1
  Fe  Fe50  1  0.207524  0.894888  0.660285  1
  Fe  Fe51  1  0.558657  0.805684  0.675098  1
  Fe  Fe52  1  0.965405  0.497414  0.642688  1
  Fe  Fe53  1  0.315663  0.408417  0.657727  1
  Fe  Fe54  1  0.667199  0.320717  0.672656  1
  Fe  Fe55  1  0.910528  0.717791  0.690629  1
  Fe  Fe56  1  0.262862  0.628410  0.704974  1
  Fe  Fe57  1  0.610550  0.538036  0.719394  1
  Fe  Fe58  1  0.017257  0.232786  0.688242  1
  Fe  Fe59  1  0.368433  0.143600  0.702757  1
  Fe  Fe60  1  0.714962  0.052241  0.717043  1
