# generated using pymatgen
data_Fe7C3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.71183671
_cell_length_b   12.33798597
_cell_length_c   50.02642389
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe7C3
_chemical_formula_sum   'Fe168 C72'
_cell_volume   4142.71553672
_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  0.830308  0.767085  0.344679  1
  Fe  Fe2  1  0.330210  0.211802  0.306880  1
  Fe  Fe3  1  0.325536  0.666486  0.310796  1
  Fe  Fe4  1  0.822141  0.113014  0.271740  1
  Fe  Fe5  1  0.679726  0.881127  0.309810  1
  Fe  Fe6  1  0.182562  0.318144  0.271261  1
  Fe  Fe7  1  0.191586  0.488081  0.299807  1
  Fe  Fe8  1  0.684216  0.042796  0.338858  1
  Fe  Fe9  1  0.500054  0.769472  0.275631  1
  Fe  Fe10  1  1.000054  0.328181  0.314380  1
  Fe  Fe11  1  0.000054  0.596866  0.334281  1
  Fe  Fe12  1  0.500084  0.044166  0.295196  1
  Fe  Fe13  1  0.320392  0.881115  0.309811  1
  Fe  Fe14  1  0.817546  0.318144  0.271261  1
  Fe  Fe15  1  0.808521  0.488081  0.299807  1
  Fe  Fe16  1  0.315898  0.042797  0.338861  1
  Fe  Fe17  1  1.000053  0.918294  0.331423  1
  Fe  Fe18  1  0.500054  0.369859  0.293189  1
  Fe  Fe19  1  0.500054  0.512768  0.324202  1
  Fe  Fe20  1  0.000074  0.958463  0.284774  1
  Fe  Fe21  1  0.674573  0.666484  0.310796  1
  Fe  Fe22  1  0.177970  0.113008  0.271742  1
  Fe  Fe23  1  0.169800  0.767085  0.344679  1
  Fe  Fe24  1  0.669898  0.211802  0.306880  1
  Fe  Fe25  1  0.500054  0.561219  0.273991  1
  Fe  Fe26  1  0.000070  0.109899  0.315158  1
  Fe  Fe27  1  0.000054  0.757576  0.300193  1
  Fe  Fe28  1  0.500054  0.315951  0.339899  1
  Fe  Fe29  1  0.829335  0.876734  0.421714  1
  Fe  Fe30  1  0.329803  0.321614  0.383261  1
  Fe  Fe31  1  0.329900  0.774506  0.387228  1
  Fe  Fe32  1  0.830085  0.219543  0.348860  1
  Fe  Fe33  1  0.682310  0.990075  0.386802  1
  Fe  Fe34  1  0.181629  0.435354  0.348403  1
  Fe  Fe35  1  0.179672  0.597225  0.377888  1
  Fe  Fe36  1  0.681575  0.152613  0.416117  1
  Fe  Fe37  1  0.500053  0.882402  0.352939  1
  Fe  Fe38  1  1.000054  0.435848  0.391547  1
  Fe  Fe39  1  1.000054  0.706501  0.411420  1
  Fe  Fe40  1  0.500054  0.150256  0.373491  1
  Fe  Fe41  1  0.317798  0.990075  0.386802  1
  Fe  Fe42  1  0.818479  0.435354  0.348403  1
  Fe  Fe43  1  0.820436  0.597225  0.377888  1
  Fe  Fe44  1  0.318533  0.152613  0.416117  1
  Fe  Fe45  1  1.000054  0.027796  0.408561  1
  Fe  Fe46  1  0.500054  0.473053  0.370167  1
  Fe  Fe47  1  0.500054  0.622881  0.400338  1
  Fe  Fe48  1  0.000054  0.067296  0.362021  1
  Fe  Fe49  1  0.670208  0.774506  0.387228  1
  Fe  Fe50  1  0.170023  0.219543  0.348860  1
  Fe  Fe51  1  0.170773  0.876734  0.421714  1
  Fe  Fe52  1  0.670305  0.321613  0.383261  1
  Fe  Fe53  1  0.500054  0.668873  0.352738  1
  Fe  Fe54  1  0.000054  0.224028  0.391218  1
  Fe  Fe55  1  1.000053  0.871511  0.378363  1
  Fe  Fe56  1  0.500054  0.426265  0.416962  1
  Fe  Fe57  1  0.829545  0.986267  0.498607  1
  Fe  Fe58  1  0.329634  0.431539  0.460138  1
  Fe  Fe59  1  0.329658  0.884169  0.464228  1
  Fe  Fe60  1  0.829909  0.329397  0.425832  1
  Fe  Fe61  1  0.681255  0.099859  0.463797  1
  Fe  Fe62  1  0.181221  0.545240  0.425314  1
  Fe  Fe63  1  0.181465  0.707266  0.454502  1
  Fe  Fe64  1  0.680916  0.261983  0.493031  1
  Fe  Fe65  1  0.500054  0.990921  0.429881  1
  Fe  Fe66  1  1.000054  0.546142  0.468412  1
  Fe  Fe67  1  1.000054  0.815829  0.488329  1
  Fe  Fe68  1  0.500054  0.260919  0.449971  1
  Fe  Fe69  1  0.318853  0.099859  0.463797  1
  Fe  Fe70  1  0.818887  0.545240  0.425314  1
  Fe  Fe71  1  0.818643  0.707266  0.454502  1
  Fe  Fe72  1  0.319192  0.261983  0.493031  1
  Fe  Fe73  1  0.000054  0.137378  0.485432  1
  Fe  Fe74  1  0.500054  0.582866  0.446944  1
  Fe  Fe75  1  0.500054  0.732608  0.477235  1
  Fe  Fe76  1  0.000054  0.177761  0.438855  1
  Fe  Fe77  1  0.670450  0.884169  0.464228  1
  Fe  Fe78  1  0.170199  0.329397  0.425832  1
  Fe  Fe79  1  0.170563  0.986267  0.498607  1
  Fe  Fe80  1  0.670474  0.431539  0.460138  1
  Fe  Fe81  1  0.500054  0.778637  0.429504  1
  Fe  Fe82  1  0.000054  0.333293  0.468072  1
  Fe  Fe83  1  1.000054  0.980977  0.455269  1
  Fe  Fe84  1  0.500054  0.535895  0.493744  1
  Fe  Fe85  1  0.829623  0.095669  0.575486  1
  Fe  Fe86  1  0.329579  0.540894  0.537102  1
  Fe  Fe87  1  0.329884  0.993722  0.541076  1
  Fe  Fe88  1  0.829745  0.438964  0.502654  1
  Fe  Fe89  1  0.680975  0.209431  0.540664  1
  Fe  Fe90  1  0.181326  0.654551  0.502228  1
  Fe  Fe91  1  0.180953  0.816593  0.531431  1
  Fe  Fe92  1  0.681545  0.371602  0.569882  1
  Fe  Fe93  1  0.500054  0.100702  0.506852  1
  Fe  Fe94  1  1.000054  0.655233  0.545364  1
  Fe  Fe95  1  0.000054  0.925495  0.565248  1
  Fe  Fe96  1  0.500054  0.370772  0.526800  1
  Fe  Fe97  1  0.319132  0.209431  0.540664  1
  Fe  Fe98  1  0.818782  0.654551  0.502228  1
  Fe  Fe99  1  0.819155  0.816593  0.531431  1
  Fe  Fe100  1  0.318562  0.371602  0.569882  1
  Fe  Fe101  1  0.000054  0.246858  0.562248  1
  Fe  Fe102  1  0.500054  0.692176  0.523874  1
  Fe  Fe103  1  0.500054  0.842091  0.554047  1
  Fe  Fe104  1  1.000054  0.287367  0.515661  1
  Fe  Fe105  1  0.670224  0.993722  0.541076  1
  Fe  Fe106  1  0.170363  0.438964  0.502654  1
  Fe  Fe107  1  0.170485  0.095669  0.575486  1
  Fe  Fe108  1  0.670529  0.540894  0.537102  1
  Fe  Fe109  1  0.500054  0.887831  0.506508  1
  Fe  Fe110  1  0.000054  0.442606  0.544965  1
  Fe  Fe111  1  0.000054  0.090514  0.532197  1
  Fe  Fe112  1  0.500054  0.645326  0.570650  1
  Fe  Fe113  1  0.829924  0.204965  0.652941  1
  Fe  Fe114  1  0.330030  0.650414  0.614087  1
  Fe  Fe115  1  0.329501  0.103290  0.618019  1
  Fe  Fe116  1  0.829518  0.548579  0.579681  1
  Fe  Fe117  1  0.681999  0.318511  0.617609  1
  Fe  Fe118  1  0.180770  0.764161  0.579085  1
  Fe  Fe119  1  0.182573  0.926982  0.608312  1
  Fe  Fe120  1  0.680257  0.480861  0.646806  1
  Fe  Fe121  1  0.500054  0.210285  0.583753  1
  Fe  Fe122  1  1.000054  0.767055  0.621821  1
  Fe  Fe123  1  0.000054  0.037440  0.642204  1
  Fe  Fe124  1  0.500054  0.480413  0.603768  1
  Fe  Fe125  1  0.318109  0.318511  0.617609  1
  Fe  Fe126  1  0.819338  0.764161  0.579085  1
  Fe  Fe127  1  0.817535  0.926982  0.608312  1
  Fe  Fe128  1  0.319850  0.480861  0.646806  1
  Fe  Fe129  1  0.000054  0.356043  0.639276  1
  Fe  Fe130  1  0.500054  0.801279  0.600528  1
  Fe  Fe131  1  0.500054  0.951910  0.631385  1
  Fe  Fe132  1  0.000054  0.396786  0.592652  1
  Fe  Fe133  1  0.670607  0.103290  0.618019  1
  Fe  Fe134  1  0.170590  0.548579  0.579681  1
  Fe  Fe135  1  0.170184  0.204965  0.652941  1
  Fe  Fe136  1  0.670078  0.650414  0.614087  1
  Fe  Fe137  1  0.500054  0.997240  0.583398  1
  Fe  Fe138  1  0.000054  0.551959  0.621884  1
  Fe  Fe139  1  0.000054  0.200212  0.609078  1
  Fe  Fe140  1  0.500054  0.755383  0.647507  1
  Fe  Fe141  1  0.829250  0.313508  0.728111  1
  Fe  Fe142  1  0.328982  0.759817  0.690087  1
  Fe  Fe143  1  0.332010  0.212236  0.694784  1
  Fe  Fe144  1  0.831412  0.657032  0.655776  1
  Fe  Fe145  1  0.687444  0.429157  0.694813  1
  Fe  Fe146  1  0.179993  0.874403  0.655689  1
  Fe  Fe147  1  0.178098  0.035442  0.685266  1
  Fe  Fe148  1  0.693032  0.602743  0.723370  1
  Fe  Fe149  1  0.500054  0.321034  0.660331  1
  Fe  Fe150  1  0.000054  0.866620  0.700129  1
  Fe  Fe151  1  0.000054  0.138793  0.719673  1
  Fe  Fe152  1  0.500054  0.590436  0.680864  1
  Fe  Fe153  1  0.312664  0.429157  0.694813  1
  Fe  Fe154  1  0.820115  0.874403  0.655689  1
  Fe  Fe155  1  0.822010  0.035442  0.685266  1
  Fe  Fe156  1  0.307076  0.602743  0.723370  1
  Fe  Fe157  1  0.000054  0.485297  0.719863  1
  Fe  Fe158  1  0.500054  0.912458  0.677687  1
  Fe  Fe159  1  0.500054  0.059215  0.707787  1
  Fe  Fe160  1  0.000054  0.505380  0.669407  1
  Fe  Fe161  1  0.668098  0.212236  0.694784  1
  Fe  Fe162  1  0.168696  0.657032  0.655776  1
  Fe  Fe163  1  0.170858  0.313508  0.728111  1
  Fe  Fe164  1  0.671126  0.759817  0.690087  1
  Fe  Fe165  1  0.500054  0.107416  0.660442  1
  Fe  Fe166  1  0.000054  0.663134  0.698605  1
  Fe  Fe167  1  0.000054  0.311362  0.686241  1
  Fe  Fe168  1  0.500054  0.870673  0.724402  1
  C  C169  1  0.721319  0.579806  0.342108  1
  C  C170  1  0.221507  0.024685  0.302851  1
  C  C171  1  0.222383  0.804922  0.279002  1
  C  C172  1  0.720025  0.358773  0.317663  1
  C  C173  1  1.000054  0.602802  0.295894  1
  C  C174  1  0.500053  0.161291  0.335185  1
  C  C175  1  0.500048  0.776095  0.324854  1
  C  C176  1  1.000053  0.217386  0.287366  1
  C  C177  1  0.278788  0.579806  0.342108  1
  C  C178  1  0.778521  0.024674  0.302855  1
  C  C179  1  0.777725  0.804922  0.279002  1
  C  C180  1  0.280083  0.358773  0.317663  1
  C  C181  1  0.720332  0.689209  0.418691  1
  C  C182  1  0.219657  0.134254  0.380342  1
  C  C183  1  0.220051  0.913412  0.356030  1
  C  C184  1  0.720495  0.467914  0.394682  1
  C  C185  1  0.000054  0.717171  0.373088  1
  C  C186  1  0.500054  0.271953  0.411648  1
  C  C187  1  0.500054  0.885623  0.401563  1
  C  C188  1  1.000054  0.330686  0.363204  1
  C  C189  1  0.279776  0.689209  0.418691  1
  C  C190  1  0.780451  0.134254  0.380342  1
  C  C191  1  0.780060  0.913410  0.356030  1
  C  C192  1  0.279613  0.467914  0.394682  1
  C  C193  1  0.720415  0.798575  0.495642  1
  C  C194  1  0.220319  0.243876  0.457252  1
  C  C195  1  0.220599  0.023155  0.433064  1
  C  C196  1  0.720364  0.577961  0.471486  1
  C  C197  1  1.000054  0.826628  0.450002  1
  C  C198  1  0.500054  0.381552  0.488471  1
  C  C199  1  0.500054  0.995036  0.478620  1
  C  C200  1  0.000054  0.440481  0.440180  1
  C  C201  1  0.279693  0.798575  0.495642  1
  C  C202  1  0.779789  0.243876  0.457252  1
  C  C203  1  0.779508  0.023155  0.433064  1
  C  C204  1  0.279744  0.577961  0.471486  1
  C  C205  1  0.720348  0.908046  0.572473  1
  C  C206  1  0.220377  0.353374  0.534070  1
  C  C207  1  0.220439  0.132679  0.509964  1
  C  C208  1  0.720451  0.687364  0.548404  1
  C  C209  1  1.000054  0.936174  0.526918  1
  C  C210  1  0.500054  0.490953  0.565434  1
  C  C211  1  0.500054  0.104559  0.555534  1
  C  C212  1  1.000054  0.549812  0.517076  1
  C  C213  1  0.279760  0.908046  0.572473  1
  C  C214  1  0.779731  0.353374  0.534070  1
  C  C215  1  0.779669  0.132679  0.509964  1
  C  C216  1  0.279657  0.687364  0.548404  1
  C  C217  1  0.720833  0.018526  0.649562  1
  C  C218  1  0.220482  0.462711  0.611054  1
  C  C219  1  0.220345  0.242139  0.586796  1
  C  C220  1  0.719915  0.797211  0.625148  1
  C  C221  1  0.000054  0.045846  0.603835  1
  C  C222  1  0.500054  0.600890  0.642519  1
  C  C223  1  0.500054  0.214037  0.632424  1
  C  C224  1  1.000054  0.659414  0.594058  1
  C  C225  1  0.279275  0.018526  0.649562  1
  C  C226  1  0.779626  0.462711  0.611054  1
  C  C227  1  0.779763  0.242139  0.586796  1
  C  C228  1  0.280193  0.797211  0.625148  1
  C  C229  1  0.718592  0.126755  0.726190  1
  C  C230  1  0.219423  0.573520  0.687507  1
  C  C231  1  0.220424  0.351886  0.663820  1
  C  C232  1  0.722791  0.905470  0.701809  1
  C  C233  1  0.000054  0.156709  0.681496  1
  C  C234  1  0.500054  0.716450  0.718983  1
  C  C235  1  0.500054  0.325323  0.708587  1
  C  C236  1  0.000054  0.768452  0.670274  1
  C  C237  1  0.281515  0.126755  0.726190  1
  C  C238  1  0.780685  0.573520  0.687507  1
  C  C239  1  0.779684  0.351886  0.663820  1
  C  C240  1  0.277317  0.905470  0.701809  1
