# generated using pymatgen
data_Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.59149861
_cell_length_b   12.99025745
_cell_length_c   48.85867225
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   95.73917048
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe
_chemical_formula_sum   Fe60
_cell_volume   1636.5451678
_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  0.941850  0.879549  0.306259  1
  Fe  Fe2  1  0.617638  0.231028  0.277269  1
  Fe  Fe3  1  0.780756  0.557797  0.291733  1
  Fe  Fe4  1  0.527728  0.051167  0.298951  1
  Fe  Fe5  1  0.689408  0.374665  0.313396  1
  Fe  Fe6  1  0.365679  0.727335  0.284561  1
  Fe  Fe7  1  0.426717  0.849322  0.351642  1
  Fe  Fe8  1  0.103452  0.202705  0.321486  1
  Fe  Fe9  1  0.264769  0.525596  0.336460  1
  Fe  Fe10  1  0.012540  0.020876  0.343986  1
  Fe  Fe11  1  0.174234  0.344320  0.358938  1
  Fe  Fe12  1  0.850918  0.697762  0.329153  1
  Fe  Fe13  1  0.911494  0.818887  0.397220  1
  Fe  Fe14  1  0.588258  0.172368  0.366934  1
  Fe  Fe15  1  0.749776  0.495517  0.382028  1
  Fe  Fe16  1  0.497422  0.990674  0.389519  1
  Fe  Fe17  1  0.659060  0.313971  0.404583  1
  Fe  Fe18  1  0.335697  0.667282  0.374469  1
  Fe  Fe19  1  0.396347  0.788595  0.442768  1
  Fe  Fe20  1  0.073118  0.142114  0.412443  1
  Fe  Fe21  1  0.234686  0.465299  0.427577  1
  Fe  Fe22  1  0.982279  0.960398  0.435045  1
  Fe  Fe23  1  0.143909  0.283670  0.450167  1
  Fe  Fe24  1  0.820609  0.637086  0.419915  1
  Fe  Fe25  1  0.881214  0.758326  0.488301  1
  Fe  Fe26  1  0.557968  0.111827  0.457971  1
  Fe  Fe27  1  0.719570  0.435051  0.473119  1
  Fe  Fe28  1  0.467146  0.930133  0.480578  1
  Fe  Fe29  1  0.628763  0.253380  0.495723  1
  Fe  Fe30  1  0.305498  0.606852  0.465413  1
  Fe  Fe31  1  0.366090  0.728072  0.533822  1
  Fe  Fe32  1  0.042824  0.081544  0.503512  1
  Fe  Fe33  1  0.204442  0.404791  0.518657  1
  Fe  Fe34  1  0.952018  0.899873  0.526116  1
  Fe  Fe35  1  0.113619  0.223097  0.541264  1
  Fe  Fe36  1  0.790374  0.576598  0.510934  1
  Fe  Fe37  1  0.850978  0.697838  0.579320  1
  Fe  Fe38  1  0.527679  0.051255  0.549068  1
  Fe  Fe39  1  0.689309  0.374527  0.564191  1
  Fe  Fe40  1  0.436902  0.869625  0.571659  1
  Fe  Fe41  1  0.598469  0.192810  0.586792  1
  Fe  Fe42  1  0.275241  0.546329  0.556468  1
  Fe  Fe43  1  0.335891  0.667642  0.624766  1
  Fe  Fe44  1  0.012527  0.020953  0.594652  1
  Fe  Fe45  1  0.174165  0.344250  0.609716  1
  Fe  Fe46  1  0.921812  0.839408  0.617207  1
  Fe  Fe47  1  0.083329  0.162556  0.632301  1
  Fe  Fe48  1  0.760094  0.516037  0.602015  1
  Fe  Fe49  1  0.820670  0.637162  0.670083  1
  Fe  Fe50  1  0.497353  0.990604  0.640298  1
  Fe  Fe51  1  0.659048  0.314048  0.655249  1
  Fe  Fe52  1  0.406819  0.809328  0.662775  1
  Fe  Fe53  1  0.568136  0.132219  0.677749  1
  Fe  Fe54  1  0.244870  0.485603  0.647593  1
  Fe  Fe55  1  0.305908  0.607589  0.714674  1
  Fe  Fe56  1  0.982180  0.960259  0.685840  1
  Fe  Fe57  1  0.143860  0.283757  0.700284  1
  Fe  Fe58  1  0.890832  0.777128  0.707502  1
  Fe  Fe59  1  0.053950  0.103896  0.721966  1
  Fe  Fe60  1  0.729737  0.455375  0.692976  1
