# generated using pymatgen
data_Fe5C2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.56382182
_cell_length_b   5.73894050
_cell_length_c   47.86474600
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   96.90185159
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe5C2
_chemical_formula_sum   'Fe50 C20'
_cell_volume   1244.56496149
_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  0.762466  0.573331  0.288344  1
  Fe  Fe2  1  0.886165  0.969791  0.348735  1
  Fe  Fe3  1  0.081652  0.668080  0.328234  1
  Fe  Fe4  1  0.568881  0.591228  0.348345  1
  Fe  Fe5  1  0.091475  0.960088  0.289153  1
  Fe  Fe6  1  0.260996  0.547562  0.273747  1
  Fe  Fe7  1  0.575168  0.264073  0.321173  1
  Fe  Fe8  1  0.375673  0.917381  0.362460  1
  Fe  Fe9  1  0.567424  0.882004  0.309443  1
  Fe  Fe10  1  0.077366  0.289515  0.315797  1
  Fe  Fe11  1  0.710669  0.232174  0.379706  1
  Fe  Fe12  1  0.828461  0.616961  0.439519  1
  Fe  Fe13  1  0.026598  0.315255  0.419226  1
  Fe  Fe14  1  0.513696  0.238781  0.439032  1
  Fe  Fe15  1  0.025991  0.610403  0.380205  1
  Fe  Fe16  1  0.219529  0.285032  0.366004  1
  Fe  Fe17  1  0.517880  0.912675  0.412599  1
  Fe  Fe18  1  0.319031  0.564341  0.453282  1
  Fe  Fe19  1  0.512834  0.533938  0.400048  1
  Fe  Fe20  1  0.021578  0.936637  0.406676  1
  Fe  Fe21  1  0.654839  0.879299  0.470611  1
  Fe  Fe22  1  0.772143  0.263951  0.530371  1
  Fe  Fe23  1  0.970542  0.962271  0.510095  1
  Fe  Fe24  1  0.457542  0.885790  0.529898  1
  Fe  Fe25  1  0.969440  0.257460  0.471084  1
  Fe  Fe26  1  0.164113  0.931887  0.456838  1
  Fe  Fe27  1  0.461737  0.559622  0.503455  1
  Fe  Fe28  1  0.262869  0.211363  0.544144  1
  Fe  Fe29  1  0.456440  0.180978  0.490887  1
  Fe  Fe30  1  0.965245  0.583628  0.497527  1
  Fe  Fe31  1  0.598521  0.526289  0.561463  1
  Fe  Fe32  1  0.716313  0.911076  0.621276  1
  Fe  Fe33  1  0.914148  0.609312  0.600934  1
  Fe  Fe34  1  0.400991  0.532847  0.620777  1
  Fe  Fe35  1  0.913286  0.904469  0.561950  1
  Fe  Fe36  1  0.107951  0.578908  0.547700  1
  Fe  Fe37  1  0.405404  0.206613  0.594306  1
  Fe  Fe38  1  0.207452  0.858218  0.634978  1
  Fe  Fe39  1  0.400384  0.827994  0.581756  1
  Fe  Fe40  1  0.909102  0.230574  0.588383  1
  Fe  Fe41  1  0.540817  0.173459  0.652247  1
  Fe  Fe42  1  0.664516  0.569919  0.712638  1
  Fe  Fe43  1  0.859558  0.261246  0.691539  1
  Fe  Fe44  1  0.335507  0.183161  0.711829  1
  Fe  Fe45  1  0.858101  0.552021  0.652637  1
  Fe  Fe46  1  0.051309  0.225868  0.638522  1
  Fe  Fe47  1  0.349616  0.853735  0.685184  1
  Fe  Fe48  1  0.165986  0.595688  0.727235  1
  Fe  Fe49  1  0.345330  0.475170  0.672748  1
  Fe  Fe50  1  0.851814  0.879177  0.679808  1
  C  C51  1  0.413261  0.546792  0.311164  1
  C  C52  1  0.766751  0.144597  0.289352  1
  C  C53  1  0.888991  0.402074  0.348217  1
  C  C54  1  0.239846  0.008842  0.326549  1
  C  C55  1  0.356949  0.194248  0.401887  1
  C  C56  1  0.706417  0.800145  0.380177  1
  C  C57  1  0.833309  0.049062  0.439119  1
  C  C58  1  0.182360  0.654946  0.417364  1
  C  C59  1  0.300843  0.841229  0.492752  1
  C  C60  1  0.649831  0.447184  0.471002  1
  C  C61  1  0.777151  0.696066  0.529980  1
  C  C62  1  0.126139  0.302021  0.508230  1
  C  C63  1  0.244622  0.488303  0.583618  1
  C  C64  1  0.593673  0.094188  0.561863  1
  C  C65  1  0.720565  0.343104  0.620805  1
  C  C66  1  0.070033  0.949002  0.599095  1
  C  C67  1  0.187136  0.134408  0.674433  1
  C  C68  1  0.537991  0.741176  0.652765  1
  C  C69  1  0.660231  0.998653  0.711630  1
  C  C70  1  0.013721  0.596457  0.689818  1
