# generated using pymatgen
data_Fe2C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.66760873
_cell_length_b   6.80650584
_cell_length_c   47.43709799
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2C
_chemical_formula_sum   'Fe48 C24'
_cell_volume   1507.0816347
_cell_formula_units_Z   24
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  0.273061  0.115895  0.334301  1
  Fe  Fe2  1  0.260837  0.397710  0.299273  1
  Fe  Fe3  1  0.727969  0.979110  0.313535  1
  Fe  Fe4  1  0.726598  0.706490  0.349113  1
  Fe  Fe5  1  0.223259  0.476405  0.352304  1
  Fe  Fe6  1  0.236864  0.756696  0.317079  1
  Fe  Fe7  1  0.774760  0.340679  0.331159  1
  Fe  Fe8  1  0.775909  0.617187  0.295760  1
  Fe  Fe9  1  0.275185  0.565936  0.406053  1
  Fe  Fe10  1  0.276438  0.838628  0.370473  1
  Fe  Fe11  1  0.726095  0.430462  0.384681  1
  Fe  Fe12  1  0.726164  0.157476  0.420536  1
  Fe  Fe13  1  0.226669  0.928994  0.423914  1
  Fe  Fe14  1  0.226261  0.203039  0.388251  1
  Fe  Fe15  1  0.775009  0.794245  0.402645  1
  Fe  Fe16  1  0.773999  0.069068  0.366823  1
  Fe  Fe17  1  0.274987  0.017656  0.477500  1
  Fe  Fe18  1  0.274463  0.292089  0.441764  1
  Fe  Fe19  1  0.726304  0.883048  0.456235  1
  Fe  Fe20  1  0.726044  0.609031  0.491930  1
  Fe  Fe21  1  0.225990  0.380503  0.495375  1
  Fe  Fe22  1  0.226265  0.654826  0.459637  1
  Fe  Fe23  1  0.774862  0.245971  0.474058  1
  Fe  Fe24  1  0.774996  0.520111  0.438419  1
  Fe  Fe25  1  0.275038  0.469379  0.548884  1
  Fe  Fe26  1  0.274905  0.743535  0.513233  1
  Fe  Fe27  1  0.726427  0.334638  0.527674  1
  Fe  Fe28  1  0.726923  0.060354  0.563378  1
  Fe  Fe29  1  0.226198  0.832348  0.566773  1
  Fe  Fe30  1  0.226420  0.106555  0.531077  1
  Fe  Fe31  1  0.774605  0.697528  0.545548  1
  Fe  Fe32  1  0.775108  0.971998  0.509809  1
  Fe  Fe33  1  0.274762  0.921395  0.620479  1
  Fe  Fe34  1  0.275318  0.195118  0.584648  1
  Fe  Fe35  1  0.725608  0.786948  0.599047  1
  Fe  Fe36  1  0.726684  0.512071  0.634827  1
  Fe  Fe37  1  0.228293  0.283482  0.638332  1
  Fe  Fe38  1  0.226521  0.558602  0.602628  1
  Fe  Fe39  1  0.776664  0.150523  0.616951  1
  Fe  Fe40  1  0.775270  0.423861  0.581231  1
  Fe  Fe41  1  0.278350  0.374219  0.691620  1
  Fe  Fe42  1  0.276471  0.647429  0.655808  1
  Fe  Fe43  1  0.738179  0.232560  0.670341  1
  Fe  Fe44  1  0.740720  0.958063  0.705620  1
  Fe  Fe45  1  0.223137  0.736474  0.709429  1
  Fe  Fe46  1  0.229232  0.010901  0.674038  1
  Fe  Fe47  1  0.764550  0.593571  0.688266  1
  Fe  Fe48  1  0.778176  0.875939  0.653037  1
  C  C49  1  0.505380  0.822884  0.287871  1
  C  C50  1  0.501766  0.546391  0.324216  1
  C  C51  1  0.999254  0.184337  0.305671  1
  C  C52  1  0.002462  0.910098  0.342046  1
  C  C53  1  0.498785  0.272898  0.359595  1
  C  C54  1  0.501015  0.998853  0.395422  1
  C  C55  1  1.000270  0.635213  0.377586  1
  C  C56  1  1.000245  0.361906  0.413257  1
  C  C57  1  0.500755  0.724459  0.431148  1
  C  C58  1  0.500303  0.450291  0.466878  1
  C  C59  1  1.000700  0.087363  0.448997  1
  C  C60  1  1.000631  0.813302  0.484733  1
  C  C61  1  0.500669  0.176290  0.502572  1
  C  C62  1  0.500720  0.902145  0.538296  1
  C  C63  1  1.000320  0.539263  0.520430  1
  C  C64  1  1.000828  0.265046  0.556174  1
  C  C65  1  0.500127  0.627780  0.574034  1
  C  C66  1  0.500847  0.353925  0.609709  1
  C  C67  1  1.001004  0.990798  0.591910  1
  C  C68  1  0.999527  0.717346  0.627584  1
  C  C69  1  0.503092  0.079192  0.645432  1
  C  C70  1  0.500825  0.804603  0.681173  1
  C  C71  1  0.002452  0.443246  0.663233  1
  C  C72  1  0.007683  0.168790  0.699580  1
