# generated using pymatgen
data_Fe5C2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.56048979
_cell_length_b   4.80072117
_cell_length_c   46.45555162
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   89.95216321
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe5C2
_chemical_formula_sum   'Fe40 C16'
_cell_volume   1017.08076213
_cell_formula_units_Z   8
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  0.702427  0.443970  0.313056  1
  Fe  Fe2  1  0.473643  0.595967  0.356017  1
  Fe  Fe3  1  0.396481  0.123557  0.287161  1
  Fe  Fe4  1  0.896321  0.918882  0.287193  1
  Fe  Fe5  1  0.277096  0.129476  0.382432  1
  Fe  Fe6  1  0.202777  0.597933  0.313054  1
  Fe  Fe7  1  0.839011  0.993307  0.335068  1
  Fe  Fe8  1  0.973274  0.446625  0.356027  1
  Fe  Fe9  1  0.776866  0.912510  0.382452  1
  Fe  Fe10  1  0.339062  0.048936  0.335097  1
  Fe  Fe11  1  0.528964  0.945809  0.424823  1
  Fe  Fe12  1  0.295296  0.096511  0.467020  1
  Fe  Fe13  1  0.226356  0.629698  0.398441  1
  Fe  Fe14  1  0.726139  0.412894  0.398461  1
  Fe  Fe15  1  0.098009  0.629461  0.493369  1
  Fe  Fe16  1  0.029322  0.096184  0.424808  1
  Fe  Fe17  1  0.662089  0.496530  0.445906  1
  Fe  Fe18  1  0.794940  0.946065  0.467035  1
  Fe  Fe19  1  0.597791  0.412511  0.493389  1
  Fe  Fe20  1  0.162113  0.545759  0.445934  1
  Fe  Fe21  1  0.349855  0.445776  0.535777  1
  Fe  Fe22  1  0.116187  0.596478  0.577974  1
  Fe  Fe23  1  0.047360  0.129776  0.509408  1
  Fe  Fe24  1  0.547142  0.912826  0.509428  1
  Fe  Fe25  1  0.919013  0.129393  0.604336  1
  Fe  Fe26  1  0.850211  0.596222  0.535762  1
  Fe  Fe27  1  0.483039  0.996528  0.556863  1
  Fe  Fe28  1  0.615829  0.446103  0.577989  1
  Fe  Fe29  1  0.418795  0.912589  0.604356  1
  Fe  Fe30  1  0.983062  0.045757  0.556891  1
  Fe  Fe31  1  0.171509  0.946320  0.646780  1
  Fe  Fe32  1  0.942724  0.098317  0.689741  1
  Fe  Fe33  1  0.868285  0.629777  0.620344  1
  Fe  Fe34  1  0.368056  0.412811  0.620365  1
  Fe  Fe35  1  0.748830  0.623405  0.715604  1
  Fe  Fe36  1  0.671878  0.095662  0.646770  1
  Fe  Fe37  1  0.306089  0.493350  0.667700  1
  Fe  Fe38  1  0.442374  0.944354  0.689743  1
  Fe  Fe39  1  0.248671  0.418730  0.715636  1
  Fe  Fe40  1  0.806141  0.548979  0.667729  1
  C  C41  1  0.053378  0.226031  0.308775  1
  C  C42  1  0.625837  0.226386  0.361460  1
  C  C43  1  0.553182  0.816127  0.308761  1
  C  C44  1  0.125665  0.815944  0.361449  1
  C  C45  1  0.877543  0.726538  0.419428  1
  C  C46  1  0.446848  0.726602  0.472426  1
  C  C47  1  0.377376  0.315705  0.419414  1
  C  C48  1  0.946678  0.315726  0.472412  1
  C  C49  1  0.698473  0.226561  0.530385  1
  C  C50  1  0.267775  0.226582  0.583383  1
  C  C51  1  0.198303  0.815685  0.530371  1
  C  C52  1  0.767608  0.815749  0.583369  1
  C  C53  1  0.519486  0.726343  0.641348  1
  C  C54  1  0.091969  0.726160  0.694036  1
  C  C55  1  0.019314  0.315901  0.641337  1
  C  C56  1  0.591774  0.316256  0.694022  1
