# generated using pymatgen
data_Fe5C2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.57116440
_cell_length_b   5.73382243
_cell_length_c   47.79284374
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   96.83862243
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe5C2
_chemical_formula_sum   'Fe50 C20'
_cell_volume   1243.75003587
_cell_formula_units_Z   10
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  0.108949  0.930569  0.316197  1
  Fe  Fe2  1  0.258961  0.565198  0.319153  1
  Fe  Fe3  1  0.456003  0.238716  0.333572  1
  Fe  Fe4  1  0.970799  0.315419  0.353521  1
  Fe  Fe5  1  0.396072  0.189579  0.281017  1
  Fe  Fe6  1  0.599749  0.884655  0.301538  1
  Fe  Fe7  1  0.860009  0.632166  0.277289  1
  Fe  Fe8  1  0.771125  0.618413  0.333453  1
  Fe  Fe9  1  0.913761  0.260484  0.301335  1
  Fe  Fe10  1  0.462351  0.913044  0.360061  1
  Fe  Fe11  1  0.164374  0.285645  0.406791  1
  Fe  Fe12  1  0.318858  0.917545  0.410325  1
  Fe  Fe13  1  0.513543  0.591873  0.424572  1
  Fe  Fe14  1  0.026456  0.668515  0.444452  1
  Fe  Fe15  1  0.457248  0.534566  0.372690  1
  Fe  Fe16  1  0.655339  0.233052  0.392925  1
  Fe  Fe17  1  0.964730  0.936826  0.365802  1
  Fe  Fe18  1  0.828327  0.970303  0.424169  1
  Fe  Fe19  1  0.969920  0.611697  0.392556  1
  Fe  Fe20  1  0.517853  0.266019  0.451052  1
  Fe  Fe21  1  0.220113  0.638588  0.497737  1
  Fe  Fe22  1  0.374780  0.270570  0.501277  1
  Fe  Fe23  1  0.569248  0.944765  0.515521  1
  Fe  Fe24  1  0.082212  0.021467  0.535407  1
  Fe  Fe25  1  0.512681  0.887692  0.463607  1
  Fe  Fe26  1  0.710820  0.585969  0.483894  1
  Fe  Fe27  1  0.021277  0.290209  0.457012  1
  Fe  Fe28  1  0.884073  0.323189  0.515120  1
  Fe  Fe29  1  0.025645  0.964393  0.483493  1
  Fe  Fe30  1  0.573616  0.618949  0.542002  1
  Fe  Fe31  1  0.276035  0.991613  0.588689  1
  Fe  Fe32  1  0.430518  0.623513  0.592223  1
  Fe  Fe33  1  0.624973  0.297462  0.606458  1
  Fe  Fe34  1  0.137644  0.374592  0.626324  1
  Fe  Fe35  1  0.568437  0.240644  0.554561  1
  Fe  Fe36  1  0.766566  0.938855  0.574845  1
  Fe  Fe37  1  0.077040  0.643139  0.547962  1
  Fe  Fe38  1  0.939554  0.676106  0.606089  1
  Fe  Fe39  1  0.081350  0.317286  0.574442  1
  Fe  Fe40  1  0.630163  0.972333  0.633212  1
  Fe  Fe41  1  0.335932  0.343961  0.679861  1
  Fe  Fe42  1  0.485944  0.978589  0.682817  1
  Fe  Fe43  1  0.681132  0.648674  0.697679  1
  Fe  Fe44  1  0.198821  0.719580  0.717997  1
  Fe  Fe45  1  0.624094  0.593739  0.645493  1
  Fe  Fe46  1  0.823768  0.290746  0.665561  1
  Fe  Fe47  1  0.132542  0.996115  0.638953  1
  Fe  Fe48  1  0.995144  0.024503  0.697476  1
  Fe  Fe49  1  0.138890  0.670442  0.665442  1
  Fe  Fe50  1  0.734884  0.276993  0.721725  1
  C  C51  1  0.777261  0.050807  0.333347  1
  C  C52  1  0.126473  0.654632  0.355342  1
  C  C53  1  0.242550  0.843445  0.279962  1
  C  C54  1  0.592501  0.448210  0.301976  1
  C  C55  1  0.833407  0.402499  0.424491  1
  C  C56  1  0.182114  0.008318  0.446286  1
  C  C57  1  0.301304  0.194712  0.370844  1
  C  C58  1  0.649931  0.800952  0.392612  1
  C  C59  1  0.889184  0.755464  0.515442  1
  C  C60  1  0.237868  0.361242  0.537237  1
  C  C61  1  0.357025  0.547916  0.461777  1
  C  C62  1  0.705709  0.153694  0.483572  1
  C  C63  1  0.944962  0.108207  0.606402  1
  C  C64  1  0.293589  0.714446  0.628170  1
  C  C65  1  0.412779  0.900840  0.552728  1
  C  C66  1  0.761486  0.506659  0.574523  1
  C  C67  1  0.002392  0.460949  0.697038  1
  C  C68  1  0.352343  0.065714  0.719052  1
  C  C69  1  0.468420  0.254527  0.643672  1
  C  C70  1  0.817632  0.858351  0.665667  1
