# generated using pymatgen
data_Fe3C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.70393380
_cell_length_b   7.00535768
_cell_length_c   42.10172779
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe3C
_chemical_formula_sum   'Fe48 C16'
_cell_volume   1387.3672383
_cell_formula_units_Z   16
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  0.913720  0.080096  0.429169  1
  Fe  Fe2  1  0.057644  0.397190  0.372716  1
  Fe  Fe3  1  0.341861  0.574780  0.404764  1
  Fe  Fe4  1  0.863695  0.739224  0.399473  1
  Fe  Fe5  1  0.138763  0.071213  0.369738  1
  Fe  Fe6  1  0.845966  0.400757  0.425910  1
  Fe  Fe7  1  0.182504  0.714392  0.351561  1
  Fe  Fe8  1  0.607044  0.545945  0.342848  1
  Fe  Fe9  1  0.422174  0.897332  0.401959  1
  Fe  Fe10  1  0.594871  0.238148  0.379892  1
  Fe  Fe11  1  0.662364  0.889949  0.348559  1
  Fe  Fe12  1  0.368804  0.230496  0.432107  1
  Fe  Fe13  1  0.914118  0.077390  0.540225  1
  Fe  Fe14  1  0.062990  0.388603  0.484632  1
  Fe  Fe15  1  0.346988  0.569259  0.515893  1
  Fe  Fe16  1  0.866460  0.737431  0.510389  1
  Fe  Fe17  1  0.129320  0.069542  0.481918  1
  Fe  Fe18  1  0.846597  0.396867  0.537519  1
  Fe  Fe19  1  0.109688  0.730360  0.454665  1
  Fe  Fe20  1  0.561659  0.578527  0.457617  1
  Fe  Fe21  1  0.413009  0.888524  0.513053  1
  Fe  Fe22  1  0.610015  0.237465  0.487356  1
  Fe  Fe23  1  0.630200  0.898275  0.460065  1
  Fe  Fe24  1  0.366598  0.229269  0.543030  1
  Fe  Fe25  1  0.915184  0.078527  0.651414  1
  Fe  Fe26  1  0.063833  0.388524  0.595978  1
  Fe  Fe27  1  0.347522  0.569542  0.627113  1
  Fe  Fe28  1  0.866828  0.737465  0.621675  1
  Fe  Fe29  1  0.129854  0.069259  0.593138  1
  Fe  Fe30  1  0.846643  0.398275  0.648966  1
  Fe  Fe31  1  0.110245  0.729269  0.566002  1
  Fe  Fe32  1  0.562724  0.577390  0.568807  1
  Fe  Fe33  1  0.413853  0.888603  0.624399  1
  Fe  Fe34  1  0.610383  0.237431  0.598642  1
  Fe  Fe35  1  0.630246  0.896867  0.571512  1
  Fe  Fe36  1  0.367154  0.230360  0.654366  1
  Fe  Fe37  1  0.869799  0.045945  0.766183  1
  Fe  Fe38  1  0.054669  0.397331  0.707073  1
  Fe  Fe39  1  0.338079  0.571214  0.739293  1
  Fe  Fe40  1  0.881971  0.738148  0.729140  1
  Fe  Fe41  1  0.134982  0.074780  0.704268  1
  Fe  Fe42  1  0.814479  0.389949  0.760473  1
  Fe  Fe43  1  0.108039  0.730495  0.676924  1
  Fe  Fe44  1  0.563122  0.580095  0.679862  1
  Fe  Fe45  1  0.419198  0.897190  0.736315  1
  Fe  Fe46  1  0.613148  0.239224  0.709558  1
  Fe  Fe47  1  0.630877  0.900757  0.683121  1
  Fe  Fe48  1  0.294338  0.214392  0.757470  1
  C  C49  1  0.270003  0.971439  0.442288  1
  C  C50  1  0.781061  -0.000710  0.388252  1
  C  C51  1  0.699825  0.500177  0.386614  1
  C  C52  1  0.226925  0.465974  0.332782  1
  C  C53  1  0.270736  0.970219  0.553581  1
  C  C54  1  0.769500  -0.003801  0.499771  1
  C  C55  1  0.706635  0.496318  0.497950  1
  C  C56  1  0.205385  0.471189  0.444182  1
  C  C57  1  0.271457  0.971189  0.664849  1
  C  C58  1  0.770207  -0.003682  0.611081  1
  C  C59  1  0.707343  0.496199  0.609260  1
  C  C60  1  0.206106  0.470219  0.555450  1
  C  C61  1  0.249917  0.965974  0.776249  1
  C  C62  1  0.777018  0.000176  0.722418  1
  C  C63  1  0.695782  0.499290  0.720779  1
  C  C64  1  0.206839  0.471439  0.666743  1
