# generated using pymatgen
data_Fe5C2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.47228917
_cell_length_b   4.55538222
_cell_length_c   52.64651102
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   97.57481173
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe5C2
_chemical_formula_sum   'Fe100 C40'
_cell_volume   2489.60001436
_cell_formula_units_Z   20
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  0.903110  0.075686  0.325525  1
  Fe  Fe2  1  0.590496  0.425906  0.280209  1
  Fe  Fe3  1  0.712023  0.764704  0.308704  1
  Fe  Fe4  1  0.784746  0.737491  0.354271  1
  Fe  Fe5  1  0.780966  0.229425  0.282950  1
  Fe  Fe6  1  0.713473  0.264125  0.328593  1
  Fe  Fe7  1  0.904399  0.571624  0.311553  1
  Fe  Fe8  1  0.593944  0.924847  0.357330  1
  Fe  Fe9  1  0.998898  0.250491  0.279413  1
  Fe  Fe10  1  0.998898  0.750491  0.361112  1
  Fe  Fe11  1  0.407300  0.075077  0.280209  1
  Fe  Fe12  1  0.094686  0.425297  0.325525  1
  Fe  Fe13  1  0.213050  0.763491  0.354271  1
  Fe  Fe14  1  0.285773  0.736279  0.308704  1
  Fe  Fe15  1  0.284323  0.236858  0.328593  1
  Fe  Fe16  1  0.216830  0.271558  0.282950  1
  Fe  Fe17  1  0.403852  0.576136  0.357330  1
  Fe  Fe18  1  0.093397  0.929358  0.311553  1
  Fe  Fe19  1  0.498898  0.250491  0.322099  1
  Fe  Fe20  1  0.498898  0.750491  0.315788  1
  Fe  Fe21  1  0.903740  0.077117  0.416488  1
  Fe  Fe22  1  0.594080  0.424401  0.371066  1
  Fe  Fe23  1  0.713399  0.763710  0.399792  1
  Fe  Fe24  1  0.784550  0.737518  0.445264  1
  Fe  Fe25  1  0.784807  0.237606  0.373967  1
  Fe  Fe26  1  0.713420  0.263779  0.419552  1
  Fe  Fe27  1  0.903688  0.576868  0.402781  1
  Fe  Fe28  1  0.594041  0.924102  0.448290  1
  Fe  Fe29  1  0.998898  0.250491  0.367078  1
  Fe  Fe30  1  0.998898  0.750491  0.452127  1
  Fe  Fe31  1  0.403716  0.076581  0.371066  1
  Fe  Fe32  1  0.094056  0.423866  0.416488  1
  Fe  Fe33  1  0.213245  0.763465  0.445264  1
  Fe  Fe34  1  0.284397  0.737273  0.399792  1
  Fe  Fe35  1  0.284375  0.237204  0.419552  1
  Fe  Fe36  1  0.212989  0.263377  0.373967  1
  Fe  Fe37  1  0.403754  0.576881  0.448290  1
  Fe  Fe38  1  0.094107  0.924115  0.402781  1
  Fe  Fe39  1  0.498898  0.250491  0.412669  1
  Fe  Fe40  1  0.498898  0.750491  0.406635  1
  Fe  Fe41  1  0.903744  0.077099  0.507470  1
  Fe  Fe42  1  0.594055  0.424092  0.461985  1
  Fe  Fe43  1  0.713313  0.763667  0.490749  1
  Fe  Fe44  1  0.784556  0.737572  0.536248  1
  Fe  Fe45  1  0.784556  0.237572  0.464995  1
  Fe  Fe46  1  0.713313  0.263667  0.510493  1
  Fe  Fe47  1  0.903744  0.577099  0.493772  1
  Fe  Fe48  1  0.594055  0.924092  0.539258  1
  Fe  Fe49  1  0.998898  0.250491  0.458148  1
  Fe  Fe50  1  0.998898  0.750491  0.543095  1
  Fe  Fe51  1  0.403741  0.076891  0.461985  1
  Fe  Fe52  1  0.094052  0.423883  0.507470  1
  Fe  Fe53  1  0.213240  0.763411  0.536248  1
  Fe  Fe54  1  0.284483  0.737316  0.490749  1
  Fe  Fe55  1  0.284483  0.237316  0.510493  1
  Fe  Fe56  1  0.213240  0.263411  0.464995  1
  Fe  Fe57  1  0.403741  0.576891  0.539258  1
  Fe  Fe58  1  0.094052  0.923883  0.493772  1
  Fe  Fe59  1  0.498898  0.250491  0.503640  1
  Fe  Fe60  1  0.498898  0.750491  0.497603  1
  Fe  Fe61  1  0.903688  0.076868  0.598462  1
  Fe  Fe62  1  0.594041  0.424102  0.552952  1
  Fe  Fe63  1  0.713420  0.763779  0.581691  1
  Fe  Fe64  1  0.784807  0.737606  0.627276  1
  Fe  Fe65  1  0.784550  0.237518  0.555979  1
  Fe  Fe66  1  0.713399  0.263710  0.601451  1
  Fe  Fe67  1  0.903740  0.577117  0.584755  1
  Fe  Fe68  1  0.594080  0.924401  0.630177  1
  Fe  Fe69  1  0.998898  0.250491  0.549116  1
  Fe  Fe70  1  0.998898  0.750491  0.634165  1
  Fe  Fe71  1  0.403754  0.076881  0.552952  1
  Fe  Fe72  1  0.094107  0.424115  0.598462  1
  Fe  Fe73  1  0.212989  0.763377  0.627276  1
  Fe  Fe74  1  0.284375  0.737204  0.581691  1
  Fe  Fe75  1  0.284397  0.237273  0.601451  1
  Fe  Fe76  1  0.213245  0.263465  0.555979  1
  Fe  Fe77  1  0.403716  0.576581  0.630177  1
  Fe  Fe78  1  0.094056  0.923866  0.584755  1
  Fe  Fe79  1  0.498898  0.250491  0.594608  1
  Fe  Fe80  1  0.498898  0.750491  0.588574  1
  Fe  Fe81  1  0.904399  0.071624  0.689690  1
  Fe  Fe82  1  0.593944  0.424847  0.643912  1
  Fe  Fe83  1  0.713473  0.764125  0.672650  1
  Fe  Fe84  1  0.780966  0.729425  0.718293  1
  Fe  Fe85  1  0.784746  0.237491  0.646972  1
  Fe  Fe86  1  0.712023  0.264704  0.692539  1
  Fe  Fe87  1  0.903110  0.575686  0.675718  1
  Fe  Fe88  1  0.590496  0.925906  0.721034  1
  Fe  Fe89  1  0.998898  0.250491  0.640130  1
  Fe  Fe90  1  0.998898  0.750491  0.721830  1
  Fe  Fe91  1  0.403852  0.076136  0.643912  1
  Fe  Fe92  1  0.093397  0.429358  0.689690  1
  Fe  Fe93  1  0.216830  0.771558  0.718293  1
  Fe  Fe94  1  0.284323  0.736858  0.672650  1
  Fe  Fe95  1  0.285773  0.236279  0.692539  1
  Fe  Fe96  1  0.213050  0.263491  0.646972  1
  Fe  Fe97  1  0.407300  0.575077  0.721034  1
  Fe  Fe98  1  0.094686  0.925297  0.675718  1
  Fe  Fe99  1  0.498898  0.250491  0.685454  1
  Fe  Fe100  1  0.498898  0.750491  0.679144  1
  C  C101  1  0.617847  0.085842  0.300126  1
  C  C102  1  0.879325  0.417974  0.345444  1
  C  C103  1  0.877444  0.913730  0.291919  1
  C  C104  1  0.618908  0.583790  0.337363  1
  C  C105  1  0.118471  0.083009  0.345444  1
  C  C106  1  0.379948  0.415141  0.300126  1
  C  C107  1  0.378888  0.917193  0.337363  1
  C  C108  1  0.120352  0.587253  0.291919  1
  C  C109  1  0.618687  0.083306  0.391065  1
  C  C110  1  0.879364  0.418144  0.436517  1
  C  C111  1  0.879416  0.918055  0.382764  1
  C  C112  1  0.618536  0.583146  0.428263  1
  C  C113  1  0.118432  0.082839  0.436517  1
  C  C114  1  0.379109  0.417676  0.391065  1
  C  C115  1  0.379260  0.917837  0.428263  1
  C  C116  1  0.118380  0.582928  0.382764  1
  C  C117  1  0.618532  0.083124  0.482013  1
  C  C118  1  0.879302  0.418105  0.527497  1
  C  C119  1  0.879302  0.918105  0.473746  1
  C  C120  1  0.618532  0.583124  0.519230  1
  C  C121  1  0.118494  0.082878  0.527497  1
  C  C122  1  0.379263  0.417859  0.482013  1
  C  C123  1  0.379263  0.917859  0.519230  1
  C  C124  1  0.118494  0.582878  0.473746  1
  C  C125  1  0.618536  0.083146  0.572980  1
  C  C126  1  0.879416  0.418055  0.618479  1
  C  C127  1  0.879364  0.918144  0.564725  1
  C  C128  1  0.618687  0.583306  0.610178  1
  C  C129  1  0.118380  0.082928  0.618479  1
  C  C130  1  0.379260  0.417837  0.572980  1
  C  C131  1  0.379109  0.917676  0.610178  1
  C  C132  1  0.118432  0.582839  0.564725  1
  C  C133  1  0.618908  0.083790  0.663880  1
  C  C134  1  0.877444  0.413730  0.709323  1
  C  C135  1  0.879325  0.917974  0.655799  1
  C  C136  1  0.617847  0.585842  0.701117  1
  C  C137  1  0.120352  0.087253  0.709323  1
  C  C138  1  0.378888  0.417193  0.663880  1
  C  C139  1  0.379948  0.915141  0.701117  1
  C  C140  1  0.118471  0.583009  0.655799  1
