# generated using pymatgen
data_Fe2C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   18.50419517
_cell_length_b   11.67354361
_cell_length_c   47.72961595
_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   'Fe360 C180'
_cell_volume   10310.0518746
_cell_formula_units_Z   180
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  0.107230  0.543738  0.295114  1
  Fe  Fe2  1  0.109387  0.895416  0.310214  1
  Fe  Fe3  1  0.270258  0.703316  0.276120  1
  Fe  Fe4  1  0.440563  0.543738  0.295114  1
  Fe  Fe5  1  0.103591  0.203316  0.276120  1
  Fe  Fe6  1  0.273896  0.043738  0.295114  1
  Fe  Fe7  1  0.442721  0.895416  0.310214  1
  Fe  Fe8  1  0.603591  0.703316  0.276120  1
  Fe  Fe9  1  0.773896  0.543738  0.295114  1
  Fe  Fe10  1  0.276054  0.395416  0.310214  1
  Fe  Fe11  1  0.436924  0.203316  0.276120  1
  Fe  Fe12  1  0.607230  0.043738  0.295114  1
  Fe  Fe13  1  0.776054  0.895416  0.310214  1
  Fe  Fe14  1  0.936924  0.703316  0.276120  1
  Fe  Fe15  1  0.609387  0.395416  0.310214  1
  Fe  Fe16  1  0.770258  0.203316  0.276120  1
  Fe  Fe17  1  0.940563  0.043738  0.295114  1
  Fe  Fe18  1  0.942721  0.395416  0.310214  1
  Fe  Fe19  1  0.061269  0.703316  0.276120  1
  Fe  Fe20  1  0.057630  0.043738  0.295114  1
  Fe  Fe21  1  0.222139  0.895416  0.310214  1
  Fe  Fe22  1  0.394602  0.703316  0.276120  1
  Fe  Fe23  1  0.055472  0.395416  0.310214  1
  Fe  Fe24  1  0.227935  0.203316  0.276120  1
  Fe  Fe25  1  0.390963  0.043738  0.295114  1
  Fe  Fe26  1  0.555472  0.895416  0.310214  1
  Fe  Fe27  1  0.727935  0.703316  0.276120  1
  Fe  Fe28  1  0.224297  0.543738  0.295114  1
  Fe  Fe29  1  0.388806  0.395416  0.310214  1
  Fe  Fe30  1  0.561269  0.203316  0.276120  1
  Fe  Fe31  1  0.724297  0.043738  0.295114  1
  Fe  Fe32  1  0.888806  0.895416  0.310214  1
  Fe  Fe33  1  0.557630  0.543738  0.295114  1
  Fe  Fe34  1  0.722139  0.395416  0.310214  1
  Fe  Fe35  1  0.894602  0.203316  0.276120  1
  Fe  Fe36  1  0.890963  0.543738  0.295114  1
  Fe  Fe37  1  0.110021  0.619375  0.340686  1
  Fe  Fe38  1  0.110054  0.980083  0.355661  1
  Fe  Fe39  1  0.277253  0.756113  0.325250  1
  Fe  Fe40  1  0.443355  0.619375  0.340686  1
  Fe  Fe41  1  0.110586  0.256113  0.325250  1
  Fe  Fe42  1  0.276688  0.119375  0.340686  1
  Fe  Fe43  1  0.443387  0.980083  0.355661  1
  Fe  Fe44  1  0.610586  0.756113  0.325250  1
  Fe  Fe45  1  0.776688  0.619375  0.340686  1
  Fe  Fe46  1  0.276721  0.480083  0.355661  1
  Fe  Fe47  1  0.443919  0.256113  0.325250  1
  Fe  Fe48  1  0.610021  0.119375  0.340686  1
  Fe  Fe49  1  0.776721  0.980083  0.355661  1
  Fe  Fe50  1  0.943919  0.756113  0.325250  1
  Fe  Fe51  1  0.610054  0.480083  0.355661  1
  Fe  Fe52  1  0.777253  0.256113  0.325250  1
  Fe  Fe53  1  0.943355  0.119375  0.340686  1
  Fe  Fe54  1  0.943387  0.480083  0.355661  1
  Fe  Fe55  1  0.054274  0.756113  0.325250  1
  Fe  Fe56  1  0.054838  0.119375  0.340686  1
  Fe  Fe57  1  0.221472  0.980083  0.355661  1
  Fe  Fe58  1  0.387607  0.756113  0.325250  1
  Fe  Fe59  1  0.054806  0.480083  0.355661  1
  Fe  Fe60  1  0.220940  0.256113  0.325250  1
  Fe  Fe61  1  0.388171  0.119375  0.340686  1
  Fe  Fe62  1  0.554806  0.980083  0.355661  1
  Fe  Fe63  1  0.720940  0.756113  0.325250  1
  Fe  Fe64  1  0.221505  0.619375  0.340686  1
  Fe  Fe65  1  0.388139  0.480083  0.355661  1
  Fe  Fe66  1  0.554274  0.256113  0.325250  1
  Fe  Fe67  1  0.721505  0.119375  0.340686  1
  Fe  Fe68  1  0.888139  0.980083  0.355661  1
  Fe  Fe69  1  0.554838  0.619375  0.340686  1
  Fe  Fe70  1  0.721472  0.480083  0.355661  1
  Fe  Fe71  1  0.887607  0.256113  0.325250  1
  Fe  Fe72  1  0.888171  0.619375  0.340686  1
  Fe  Fe73  1  0.110167  0.701320  0.385886  1
  Fe  Fe74  1  0.110019  0.062153  0.400953  1
  Fe  Fe75  1  0.277177  0.841060  0.370476  1
  Fe  Fe76  1  0.443500  0.701320  0.385886  1
  Fe  Fe77  1  0.110510  0.341060  0.370476  1
  Fe  Fe78  1  0.276834  0.201320  0.385886  1
  Fe  Fe79  1  0.443352  0.062153  0.400953  1
  Fe  Fe80  1  0.610510  0.841060  0.370476  1
  Fe  Fe81  1  0.776834  0.701320  0.385886  1
  Fe  Fe82  1  0.276686  0.562153  0.400953  1
  Fe  Fe83  1  0.443843  0.341060  0.370476  1
  Fe  Fe84  1  0.610167  0.201320  0.385886  1
  Fe  Fe85  1  0.776686  0.062153  0.400953  1
  Fe  Fe86  1  0.943843  0.841060  0.370476  1
  Fe  Fe87  1  0.610019  0.562153  0.400953  1
  Fe  Fe88  1  0.777177  0.341060  0.370476  1
  Fe  Fe89  1  0.943500  0.201320  0.385886  1
  Fe  Fe90  1  0.943352  0.562153  0.400953  1
  Fe  Fe91  1  0.054350  0.841060  0.370476  1
  Fe  Fe92  1  0.054693  0.201320  0.385886  1
  Fe  Fe93  1  0.221507  0.062153  0.400953  1
  Fe  Fe94  1  0.387683  0.841060  0.370476  1
  Fe  Fe95  1  0.054841  0.562153  0.400953  1
  Fe  Fe96  1  0.221016  0.341060  0.370476  1
  Fe  Fe97  1  0.388026  0.201320  0.385886  1
  Fe  Fe98  1  0.554841  0.062153  0.400953  1
  Fe  Fe99  1  0.721016  0.841060  0.370476  1
  Fe  Fe100  1  0.221359  0.701320  0.385886  1
  Fe  Fe101  1  0.388174  0.562153  0.400953  1
  Fe  Fe102  1  0.554350  0.341060  0.370476  1
  Fe  Fe103  1  0.721359  0.201320  0.385886  1
  Fe  Fe104  1  0.888174  0.062153  0.400953  1
  Fe  Fe105  1  0.554693  0.701320  0.385886  1
  Fe  Fe106  1  0.721507  0.562153  0.400953  1
  Fe  Fe107  1  0.887683  0.341060  0.370476  1
  Fe  Fe108  1  0.888026  0.701320  0.385886  1
  Fe  Fe109  1  0.110210  0.783939  0.431158  1
  Fe  Fe110  1  0.110205  0.144640  0.446294  1
  Fe  Fe111  1  0.276884  0.923178  0.415952  1
  Fe  Fe112  1  0.443543  0.783939  0.431158  1
  Fe  Fe113  1  0.110217  0.423178  0.415952  1
  Fe  Fe114  1  0.276876  0.283939  0.431158  1
  Fe  Fe115  1  0.443538  0.144640  0.446294  1
  Fe  Fe116  1  0.610217  0.923178  0.415952  1
  Fe  Fe117  1  0.776876  0.783939  0.431158  1
  Fe  Fe118  1  0.276871  0.644640  0.446294  1
  Fe  Fe119  1  0.443551  0.423178  0.415952  1
  Fe  Fe120  1  0.610210  0.283939  0.431158  1
  Fe  Fe121  1  0.776871  0.144640  0.446294  1
  Fe  Fe122  1  0.943551  0.923178  0.415952  1
  Fe  Fe123  1  0.610205  0.644640  0.446294  1
  Fe  Fe124  1  0.776884  0.423178  0.415952  1
  Fe  Fe125  1  0.943543  0.283939  0.431158  1
  Fe  Fe126  1  0.943538  0.644640  0.446294  1
  Fe  Fe127  1  0.054642  0.923178  0.415952  1
  Fe  Fe128  1  0.054650  0.283939  0.431158  1
  Fe  Fe129  1  0.221322  0.144640  0.446294  1
  Fe  Fe130  1  0.387976  0.923178  0.415952  1
  Fe  Fe131  1  0.054655  0.644640  0.446294  1
  Fe  Fe132  1  0.221309  0.423178  0.415952  1
  Fe  Fe133  1  0.387983  0.283939  0.431158  1
  Fe  Fe134  1  0.554655  0.144640  0.446294  1
  Fe  Fe135  1  0.721309  0.923178  0.415952  1
  Fe  Fe136  1  0.221316  0.783939  0.431158  1
  Fe  Fe137  1  0.387988  0.644640  0.446294  1
  Fe  Fe138  1  0.554642  0.423178  0.415952  1
  Fe  Fe139  1  0.721316  0.283939  0.431158  1
  Fe  Fe140  1  0.887988  0.144640  0.446294  1
  Fe  Fe141  1  0.554650  0.783939  0.431158  1
  Fe  Fe142  1  0.721322  0.644640  0.446294  1
  Fe  Fe143  1  0.887976  0.423178  0.415952  1
  Fe  Fe144  1  0.887983  0.783939  0.431158  1
  Fe  Fe145  1  0.110156  0.866265  0.476502  1
  Fe  Fe146  1  0.110190  0.227113  0.491601  1
  Fe  Fe147  1  0.276788  0.005378  0.461412  1
  Fe  Fe148  1  0.443489  0.866265  0.476502  1
  Fe  Fe149  1  0.110122  0.505378  0.461412  1
  Fe  Fe150  1  0.276822  0.366265  0.476502  1
  Fe  Fe151  1  0.443524  0.227113  0.491601  1
  Fe  Fe152  1  0.610122  0.005378  0.461412  1
  Fe  Fe153  1  0.776822  0.866265  0.476502  1
  Fe  Fe154  1  0.276857  0.727113  0.491601  1
  Fe  Fe155  1  0.443455  0.505378  0.461412  1
  Fe  Fe156  1  0.610156  0.366265  0.476502  1
  Fe  Fe157  1  0.776857  0.227113  0.491601  1
  Fe  Fe158  1  0.943455  0.005378  0.461412  1
  Fe  Fe159  1  0.610190  0.727113  0.491601  1
  Fe  Fe160  1  0.776788  0.505378  0.461412  1
  Fe  Fe161  1  0.943489  0.366265  0.476502  1
  Fe  Fe162  1  0.943524  0.727113  0.491601  1
  Fe  Fe163  1  0.054738  0.005378  0.461412  1
  Fe  Fe164  1  0.054704  0.366265  0.476502  1
  Fe  Fe165  1  0.221336  0.227113  0.491601  1
  Fe  Fe166  1  0.388071  0.005378  0.461412  1
  Fe  Fe167  1  0.054669  0.727113  0.491601  1
  Fe  Fe168  1  0.221405  0.505378  0.461412  1
  Fe  Fe169  1  0.388037  0.366265  0.476502  1
  Fe  Fe170  1  0.554669  0.227113  0.491601  1
  Fe  Fe171  1  0.721405  0.005378  0.461412  1
  Fe  Fe172  1  0.221370  0.866265  0.476502  1
  Fe  Fe173  1  0.388003  0.727113  0.491601  1
  Fe  Fe174  1  0.554738  0.505378  0.461412  1
  Fe  Fe175  1  0.721370  0.366265  0.476502  1
  Fe  Fe176  1  0.888003  0.227113  0.491601  1
  Fe  Fe177  1  0.554704  0.866265  0.476502  1
  Fe  Fe178  1  0.721336  0.727113  0.491601  1
  Fe  Fe179  1  0.888071  0.505378  0.461412  1
  Fe  Fe180  1  0.888037  0.866265  0.476502  1
  Fe  Fe181  1  0.110156  0.948630  0.521866  1
  Fe  Fe182  1  0.110122  0.309517  0.536956  1
  Fe  Fe183  1  0.276857  0.087782  0.506767  1
  Fe  Fe184  1  0.443489  0.948630  0.521866  1
  Fe  Fe185  1  0.110190  0.587782  0.506767  1
  Fe  Fe186  1  0.276822  0.448630  0.521866  1
  Fe  Fe187  1  0.443455  0.309517  0.536956  1
  Fe  Fe188  1  0.610190  0.087782  0.506767  1
  Fe  Fe189  1  0.776822  0.948630  0.521866  1
  Fe  Fe190  1  0.276788  0.809517  0.536956  1
  Fe  Fe191  1  0.443524  0.587782  0.506767  1
  Fe  Fe192  1  0.610156  0.448630  0.521866  1
  Fe  Fe193  1  0.776788  0.309517  0.536956  1
  Fe  Fe194  1  0.943524  0.087782  0.506767  1
  Fe  Fe195  1  0.610122  0.809517  0.536956  1
  Fe  Fe196  1  0.776857  0.587782  0.506767  1
  Fe  Fe197  1  0.943489  0.448630  0.521866  1
  Fe  Fe198  1  0.943455  0.809517  0.536956  1
  Fe  Fe199  1  0.054669  0.087782  0.506767  1
  Fe  Fe200  1  0.054704  0.448630  0.521866  1
  Fe  Fe201  1  0.221405  0.309517  0.536956  1
  Fe  Fe202  1  0.388003  0.087782  0.506767  1
  Fe  Fe203  1  0.054738  0.809517  0.536956  1
  Fe  Fe204  1  0.221336  0.587782  0.506767  1
  Fe  Fe205  1  0.388037  0.448630  0.521866  1
  Fe  Fe206  1  0.554738  0.309517  0.536956  1
  Fe  Fe207  1  0.721336  0.087782  0.506767  1
  Fe  Fe208  1  0.221370  0.948630  0.521866  1
  Fe  Fe209  1  0.388071  0.809517  0.536956  1
  Fe  Fe210  1  0.554669  0.587782  0.506767  1
  Fe  Fe211  1  0.721370  0.448630  0.521866  1
  Fe  Fe212  1  0.888071  0.309517  0.536956  1
  Fe  Fe213  1  0.554704  0.948630  0.521866  1
  Fe  Fe214  1  0.721405  0.809517  0.536956  1
  Fe  Fe215  1  0.888003  0.587782  0.506767  1
  Fe  Fe216  1  0.888037  0.948630  0.521866  1
  Fe  Fe217  1  0.110210  0.030956  0.567211  1
  Fe  Fe218  1  0.110217  0.391717  0.582416  1
  Fe  Fe219  1  0.276871  0.170255  0.552074  1
  Fe  Fe220  1  0.443543  0.030956  0.567211  1
  Fe  Fe221  1  0.110205  0.670255  0.552074  1
  Fe  Fe222  1  0.276876  0.530956  0.567211  1
  Fe  Fe223  1  0.443551  0.391717  0.582416  1
  Fe  Fe224  1  0.610205  0.170255  0.552074  1
  Fe  Fe225  1  0.776876  0.030956  0.567211  1
  Fe  Fe226  1  0.276884  0.891717  0.582416  1
  Fe  Fe227  1  0.443538  0.670255  0.552074  1
  Fe  Fe228  1  0.610210  0.530956  0.567211  1
  Fe  Fe229  1  0.776884  0.391717  0.582416  1
  Fe  Fe230  1  0.943538  0.170255  0.552074  1
  Fe  Fe231  1  0.610217  0.891717  0.582416  1
  Fe  Fe232  1  0.776871  0.670255  0.552074  1
  Fe  Fe233  1  0.943543  0.530956  0.567211  1
  Fe  Fe234  1  0.943551  0.891717  0.582416  1
  Fe  Fe235  1  0.054655  0.170255  0.552074  1
  Fe  Fe236  1  0.054650  0.530956  0.567211  1
  Fe  Fe237  1  0.221309  0.391717  0.582416  1
  Fe  Fe238  1  0.387988  0.170255  0.552074  1
  Fe  Fe239  1  0.054642  0.891717  0.582416  1
  Fe  Fe240  1  0.221322  0.670255  0.552074  1
  Fe  Fe241  1  0.387983  0.530956  0.567211  1
  Fe  Fe242  1  0.554642  0.391717  0.582416  1
  Fe  Fe243  1  0.721322  0.170255  0.552074  1
  Fe  Fe244  1  0.221316  0.030956  0.567211  1
  Fe  Fe245  1  0.387976  0.891717  0.582416  1
  Fe  Fe246  1  0.554655  0.670255  0.552074  1
  Fe  Fe247  1  0.721316  0.530956  0.567211  1
  Fe  Fe248  1  0.887976  0.391717  0.582416  1
  Fe  Fe249  1  0.554650  0.030956  0.567211  1
  Fe  Fe250  1  0.721309  0.891717  0.582416  1
  Fe  Fe251  1  0.887988  0.670255  0.552074  1
  Fe  Fe252  1  0.887983  0.030956  0.567211  1
  Fe  Fe253  1  0.110167  0.113575  0.612482  1
  Fe  Fe254  1  0.110510  0.473835  0.627892  1
  Fe  Fe255  1  0.276686  0.252742  0.597415  1
  Fe  Fe256  1  0.443500  0.113575  0.612482  1
  Fe  Fe257  1  0.110019  0.752742  0.597415  1
  Fe  Fe258  1  0.276834  0.613575  0.612482  1
  Fe  Fe259  1  0.443843  0.473835  0.627892  1
  Fe  Fe260  1  0.610019  0.252742  0.597415  1
  Fe  Fe261  1  0.776834  0.113575  0.612482  1
  Fe  Fe262  1  0.277177  0.973835  0.627892  1
  Fe  Fe263  1  0.443352  0.752742  0.597415  1
  Fe  Fe264  1  0.610167  0.613575  0.612482  1
  Fe  Fe265  1  0.777177  0.473835  0.627892  1
  Fe  Fe266  1  0.943352  0.252742  0.597415  1
  Fe  Fe267  1  0.610510  0.973835  0.627892  1
  Fe  Fe268  1  0.776686  0.752742  0.597415  1
  Fe  Fe269  1  0.943500  0.613575  0.612482  1
  Fe  Fe270  1  0.943843  0.973835  0.627892  1
  Fe  Fe271  1  0.054841  0.252742  0.597415  1
  Fe  Fe272  1  0.054693  0.613575  0.612482  1
  Fe  Fe273  1  0.221016  0.473835  0.627892  1
  Fe  Fe274  1  0.388174  0.252742  0.597415  1
  Fe  Fe275  1  0.054350  0.973835  0.627892  1
  Fe  Fe276  1  0.221507  0.752742  0.597415  1
  Fe  Fe277  1  0.388026  0.613575  0.612482  1
  Fe  Fe278  1  0.554350  0.473835  0.627892  1
  Fe  Fe279  1  0.721507  0.252742  0.597415  1
  Fe  Fe280  1  0.221359  0.113575  0.612482  1
  Fe  Fe281  1  0.387683  0.973835  0.627892  1
  Fe  Fe282  1  0.554841  0.752742  0.597415  1
  Fe  Fe283  1  0.721359  0.613575  0.612482  1
  Fe  Fe284  1  0.887683  0.473835  0.627892  1
  Fe  Fe285  1  0.554693  0.113575  0.612482  1
  Fe  Fe286  1  0.721016  0.973835  0.627892  1
  Fe  Fe287  1  0.888174  0.752742  0.597415  1
  Fe  Fe288  1  0.888026  0.113575  0.612482  1
  Fe  Fe289  1  0.110021  0.195520  0.657682  1
  Fe  Fe290  1  0.110586  0.558783  0.673118  1
  Fe  Fe291  1  0.276721  0.334812  0.642707  1
  Fe  Fe292  1  0.443355  0.195520  0.657682  1
  Fe  Fe293  1  0.110054  0.834812  0.642707  1
  Fe  Fe294  1  0.276688  0.695520  0.657682  1
  Fe  Fe295  1  0.443919  0.558783  0.673118  1
  Fe  Fe296  1  0.610054  0.334812  0.642707  1
  Fe  Fe297  1  0.776688  0.195520  0.657682  1
  Fe  Fe298  1  0.277253  0.058783  0.673118  1
  Fe  Fe299  1  0.443387  0.834812  0.642707  1
  Fe  Fe300  1  0.610021  0.695520  0.657682  1
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  Fe  Fe302  1  0.943387  0.334812  0.642707  1
  Fe  Fe303  1  0.610586  0.058783  0.673118  1
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  Fe  Fe308  1  0.054838  0.695520  0.657682  1
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