# generated using pymatgen
data_Fe2C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.43457922
_cell_length_b   6.87545069
_cell_length_c   48.16282356
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   69.26760040
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2C
_chemical_formula_sum   'Fe112 C56'
_cell_volume   3231.5656407
_cell_formula_units_Z   56
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  0.131241  0.653799  0.293508  1
  Fe  Fe2  1  0.631241  0.653799  0.293508  1
  Fe  Fe3  1  0.071258  0.417412  0.326726  1
  Fe  Fe4  1  0.571258  0.417412  0.326726  1
  Fe  Fe5  1  0.317394  0.348645  0.273283  1
  Fe  Fe6  1  0.817394  0.348645  0.273283  1
  Fe  Fe7  1  0.258095  0.107141  0.306369  1
  Fe  Fe8  1  0.758095  0.107141  0.306369  1
  Fe  Fe9  1  0.314766  0.442995  0.329982  1
  Fe  Fe10  1  0.814766  0.442995  0.329982  1
  Fe  Fe11  1  0.377224  0.676260  0.296696  1
  Fe  Fe12  1  0.877224  0.676260  0.296696  1
  Fe  Fe13  1  0.084144  0.324125  0.271996  1
  Fe  Fe14  1  0.584144  0.324125  0.271996  1
  Fe  Fe15  1  0.013548  0.080703  0.303347  1
  Fe  Fe16  1  0.513548  0.080703  0.303347  1
  Fe  Fe17  1  0.008948  0.181752  0.360094  1
  Fe  Fe18  1  0.508948  0.181752  0.360094  1
  Fe  Fe19  1  0.946562  0.947200  0.393358  1
  Fe  Fe20  1  0.446562  0.947200  0.393358  1
  Fe  Fe21  1  0.196448  0.872494  0.339461  1
  Fe  Fe22  1  0.696448  0.872494  0.339461  1
  Fe  Fe23  1  0.133195  0.637343  0.373263  1
  Fe  Fe24  1  0.633195  0.637343  0.373263  1
  Fe  Fe25  1  0.191358  0.972076  0.396517  1
  Fe  Fe26  1  0.691358  0.972076  0.396517  1
  Fe  Fe27  1  0.253167  0.207118  0.363172  1
  Fe  Fe28  1  0.753167  0.207118  0.363172  1
  Fe  Fe29  1  0.951209  0.847433  0.336596  1
  Fe  Fe30  1  0.451209  0.847433  0.336596  1
  Fe  Fe31  1  0.889725  0.611680  0.370006  1
  Fe  Fe32  1  0.389725  0.611680  0.370006  1
  Fe  Fe33  1  0.885367  0.711388  0.426715  1
  Fe  Fe34  1  0.385367  0.711388  0.426715  1
  Fe  Fe35  1  0.823744  0.475974  0.460054  1
  Fe  Fe36  1  0.323744  0.475974  0.460054  1
  Fe  Fe37  1  0.072192  0.401426  0.406491  1
  Fe  Fe38  1  0.572192  0.401426  0.406491  1
  Fe  Fe39  1  0.010480  0.166119  0.439859  1
  Fe  Fe40  1  0.510480  0.166119  0.439859  1
  Fe  Fe41  1  0.068003  0.501153  0.463236  1
  Fe  Fe42  1  0.568003  0.501153  0.463236  1
  Fe  Fe43  1  0.129694  0.736401  0.429891  1
  Fe  Fe44  1  0.629694  0.736401  0.429891  1
  Fe  Fe45  1  0.827898  0.376625  0.403327  1
  Fe  Fe46  1  0.327898  0.376625  0.403327  1
  Fe  Fe47  1  0.766194  0.140915  0.436658  1
  Fe  Fe48  1  0.266194  0.140915  0.436658  1
  Fe  Fe49  1  0.762047  0.240568  0.493426  1
  Fe  Fe50  1  0.262047  0.240568  0.493426  1
  Fe  Fe51  1  0.700253  0.005246  0.526752  1
  Fe  Fe52  1  0.200253  0.005246  0.526752  1
  Fe  Fe53  1  0.948970  0.930678  0.473125  1
  Fe  Fe54  1  0.448970  0.930678  0.473125  1
  Fe  Fe55  1  0.887130  0.695435  0.506482  1
  Fe  Fe56  1  0.387130  0.695435  0.506482  1
  Fe  Fe57  1  0.944669  0.030492  0.529910  1
  Fe  Fe58  1  0.444669  0.030492  0.529910  1
  Fe  Fe59  1  0.006334  0.265713  0.496575  1
  Fe  Fe60  1  0.506334  0.265713  0.496575  1
  Fe  Fe61  1  0.704494  0.905654  0.469985  1
  Fe  Fe62  1  0.204494  0.905654  0.469985  1
  Fe  Fe63  1  0.642820  0.670208  0.503322  1
  Fe  Fe64  1  0.142820  0.670208  0.503322  1
  Fe  Fe65  1  0.638408  0.770124  0.560101  1
  Fe  Fe66  1  0.138408  0.770124  0.560101  1
  Fe  Fe67  1  0.577463  0.534255  0.593264  1
  Fe  Fe68  1  0.077463  0.534255  0.593264  1
  Fe  Fe69  1  0.825274  0.460158  0.539821  1
  Fe  Fe70  1  0.325274  0.460158  0.539821  1
  Fe  Fe71  1  0.763993  0.224441  0.573193  1
  Fe  Fe72  1  0.263993  0.224441  0.573193  1
  Fe  Fe73  1  0.821245  0.559670  0.596554  1
  Fe  Fe74  1  0.321245  0.559670  0.596554  1
  Fe  Fe75  1  0.882981  0.794902  0.563244  1
  Fe  Fe76  1  0.382981  0.794902  0.563244  1
  Fe  Fe77  1  0.581150  0.434983  0.536647  1
  Fe  Fe78  1  0.081150  0.434983  0.536647  1
  Fe  Fe79  1  0.519481  0.199414  0.570008  1
  Fe  Fe80  1  0.019481  0.199414  0.570008  1
  Fe  Fe81  1  0.515301  0.298952  0.626819  1
  Fe  Fe82  1  0.015301  0.298952  0.626819  1
  Fe  Fe83  1  0.453401  0.063661  0.660188  1
  Fe  Fe84  1  0.953401  0.063661  0.660188  1
  Fe  Fe85  1  0.702283  0.989145  0.606519  1
  Fe  Fe86  1  0.202283  0.989145  0.606519  1
  Fe  Fe87  1  0.640650  0.753558  0.639868  1
  Fe  Fe88  1  0.140650  0.753558  0.639868  1
  Fe  Fe89  1  0.698026  0.089091  0.663299  1
  Fe  Fe90  1  0.198026  0.089091  0.663299  1
  Fe  Fe91  1  0.759590  0.324015  0.629919  1
  Fe  Fe92  1  0.259590  0.324015  0.629919  1
  Fe  Fe93  1  0.457778  0.964215  0.603360  1
  Fe  Fe94  1  0.957778  0.964215  0.603360  1
  Fe  Fe95  1  0.396158  0.728585  0.636785  1
  Fe  Fe96  1  0.896158  0.728585  0.636785  1
  Fe  Fe97  1  0.391575  0.828503  0.693558  1
  Fe  Fe98  1  0.891575  0.828503  0.693558  1
  Fe  Fe99  1  0.331837  0.589701  0.726415  1
  Fe  Fe100  1  0.831837  0.589701  0.726415  1
  Fe  Fe101  1  0.578249  0.519056  0.673020  1
  Fe  Fe102  1  0.078249  0.519056  0.673020  1
  Fe  Fe103  1  0.519120  0.280977  0.706578  1
  Fe  Fe104  1  0.019120  0.280977  0.706578  1
  Fe  Fe105  1  0.566359  0.609282  0.728111  1
  Fe  Fe106  1  0.066359  0.609282  0.728111  1
  Fe  Fe107  1  0.635274  0.851202  0.696509  1
  Fe  Fe108  1  0.135274  0.851202  0.696509  1
  Fe  Fe109  1  0.334426  0.493484  0.669885  1
  Fe  Fe110  1  0.834426  0.493484  0.669885  1
  Fe  Fe111  1  0.271995  0.255934  0.703535  1
  Fe  Fe112  1  0.771995  0.255934  0.703535  1
  C  C113  1  0.005450  0.619678  0.266456  1
  C  C114  1  0.505450  0.619678  0.266456  1
  C  C115  1  0.945280  0.378557  0.300128  1
  C  C116  1  0.445280  0.378557  0.300128  1
  C  C117  1  0.133095  0.645371  0.333386  1
  C  C118  1  0.633095  0.645371  0.333386  1
  C  C119  1  0.195634  0.879939  0.299566  1
  C  C120  1  0.695634  0.879939  0.299566  1
  C  C121  1  0.883239  0.145190  0.333241  1
  C  C122  1  0.383239  0.145190  0.333241  1
  C  C123  1  0.821150  0.909362  0.366531  1
  C  C124  1  0.321150  0.909362  0.366531  1
  C  C125  1  0.009562  0.174063  0.399976  1
  C  C126  1  0.509562  0.174063  0.399976  1
  C  C127  1  0.071416  0.409292  0.366607  1
  C  C128  1  0.571416  0.409292  0.366607  1
  C  C129  1  0.759558  0.674358  0.399922  1
  C  C130  1  0.259558  0.674358  0.399922  1
  C  C131  1  0.697950  0.438659  0.433280  1
  C  C132  1  0.197950  0.438659  0.433280  1
  C  C133  1  0.886250  0.703421  0.466599  1
  C  C134  1  0.386250  0.703421  0.466599  1
  C  C135  1  0.947965  0.938766  0.433241  1
  C  C136  1  0.447965  0.938766  0.433241  1
  C  C137  1  0.636312  0.203411  0.466626  1
  C  C138  1  0.136312  0.203411  0.466626  1
  C  C139  1  0.574579  0.967959  0.499947  1
  C  C140  1  0.074579  0.967959  0.499947  1
  C  C141  1  0.762868  0.232569  0.533310  1
  C  C142  1  0.262868  0.232569  0.533310  1
  C  C143  1  0.824591  0.468019  0.499938  1
  C  C144  1  0.324591  0.468019  0.499938  1
  C  C145  1  0.512850  0.732739  0.533274  1
  C  C146  1  0.012850  0.732739  0.533274  1
  C  C147  1  0.451171  0.497138  0.566596  1
  C  C148  1  0.951171  0.497138  0.566596  1
  C  C149  1  0.639525  0.761938  0.599985  1
  C  C150  1  0.139525  0.761938  0.599985  1
  C  C151  1  0.701260  0.997238  0.566636  1
  C  C152  1  0.201260  0.997238  0.566636  1
  C  C153  1  0.389652  0.261958  0.599986  1
  C  C154  1  0.889652  0.261958  0.599986  1
  C  C155  1  0.327955  0.026288  0.633337  1
  C  C156  1  0.827955  0.026288  0.633337  1
  C  C157  1  0.516146  0.290892  0.666704  1
  C  C158  1  0.016146  0.290892  0.666704  1
  C  C159  1  0.577867  0.526604  0.633144  1
  C  C160  1  0.077867  0.526604  0.633144  1
  C  C161  1  0.266004  0.791371  0.666709  1
  C  C162  1  0.766004  0.791371  0.666709  1
  C  C163  1  0.204741  0.553433  0.699866  1
  C  C164  1  0.704741  0.553433  0.699866  1
  C  C165  1  0.389513  0.821400  0.733449  1
  C  C166  1  0.889513  0.821400  0.733449  1
  C  C167  1  0.454406  0.055729  0.700073  1
  C  C168  1  0.954406  0.055729  0.700073  1
