# generated using pymatgen
data_Fe5C2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.79219659
_cell_length_b   10.75714214
_cell_length_c   48.21436968
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe5C2
_chemical_formula_sum   'Fe100 C40'
_cell_volume   2485.46714193
_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  0.571603  0.311911  0.285756  1
  Fe  Fe2  1  0.071710  0.078106  0.344885  1
  Fe  Fe3  1  0.378096  0.111253  0.274296  1
  Fe  Fe4  1  0.887458  0.287475  0.355888  1
  Fe  Fe5  1  0.098609  0.227800  0.311205  1
  Fe  Fe6  1  0.601399  0.170085  0.320317  1
  Fe  Fe7  1  0.418093  0.373558  0.331251  1
  Fe  Fe8  1  0.923380  0.026933  0.298170  1
  Fe  Fe9  1  0.033432  0.417896  0.292789  1
  Fe  Fe10  1  0.974606  0.477934  0.338009  1
  Fe  Fe11  1  0.081865  0.873558  0.331251  1
  Fe  Fe12  1  0.576578  0.526933  0.298170  1
  Fe  Fe13  1  0.898559  0.670085  0.320317  1
  Fe  Fe14  1  0.401348  0.727800  0.311205  1
  Fe  Fe15  1  0.612500  0.787475  0.355888  1
  Fe  Fe16  1  0.121862  0.611253  0.274296  1
  Fe  Fe17  1  0.928355  0.811911  0.285756  1
  Fe  Fe18  1  0.428248  0.578106  0.344885  1
  Fe  Fe19  1  0.525352  0.977934  0.338009  1
  Fe  Fe20  1  0.466526  0.917896  0.292789  1
  Fe  Fe21  1  0.572034  0.432286  0.376943  1
  Fe  Fe22  1  0.074384  0.198464  0.435723  1
  Fe  Fe23  1  0.389413  0.226341  0.365237  1
  Fe  Fe24  1  0.890180  0.404940  0.447270  1
  Fe  Fe25  1  0.107307  0.345393  0.401968  1
  Fe  Fe26  1  0.607233  0.285281  0.410763  1
  Fe  Fe27  1  0.423040  0.490821  0.422314  1
  Fe  Fe28  1  0.922309  0.140708  0.390333  1
  Fe  Fe29  1  0.028620  0.535634  0.383758  1
  Fe  Fe30  1  0.973933  0.595083  0.428941  1
  Fe  Fe31  1  0.076917  0.990821  0.422314  1
  Fe  Fe32  1  0.577649  0.640708  0.390333  1
  Fe  Fe33  1  0.892725  0.785281  0.410763  1
  Fe  Fe34  1  0.392651  0.845393  0.401968  1
  Fe  Fe35  1  0.609778  0.904940  0.447270  1
  Fe  Fe36  1  0.110545  0.726341  0.365237  1
  Fe  Fe37  1  0.927924  0.932286  0.376943  1
  Fe  Fe38  1  0.425574  0.698464  0.435723  1
  Fe  Fe39  1  0.526024  0.095083  0.428941  1
  Fe  Fe40  1  0.471338  0.035634  0.383758  1
  Fe  Fe41  1  0.574783  0.550275  0.467781  1
  Fe  Fe42  1  0.074783  0.316650  0.526655  1
  Fe  Fe43  1  0.389938  0.344096  0.456187  1
  Fe  Fe44  1  0.889938  0.522830  0.538249  1
  Fe  Fe45  1  0.108045  0.463684  0.492793  1
  Fe  Fe46  1  0.608045  0.403242  0.501643  1
  Fe  Fe47  1  0.423627  0.608848  0.513256  1
  Fe  Fe48  1  0.923627  0.258078  0.481180  1
  Fe  Fe49  1  0.026889  0.653897  0.474540  1
  Fe  Fe50  1  0.973069  0.713028  0.519896  1
  Fe  Fe51  1  0.076331  0.108848  0.513256  1
  Fe  Fe52  1  0.576331  0.758078  0.481180  1
  Fe  Fe53  1  0.891913  0.903242  0.501643  1
  Fe  Fe54  1  0.391913  0.963684  0.492793  1
  Fe  Fe55  1  0.610020  0.022830  0.538249  1
  Fe  Fe56  1  0.110020  0.844096  0.456187  1
  Fe  Fe57  1  0.925175  0.050275  0.467781  1
  Fe  Fe58  1  0.425175  0.816650  0.526655  1
  Fe  Fe59  1  0.526889  0.213028  0.519896  1
  Fe  Fe60  1  0.473069  0.153897  0.474540  1
  Fe  Fe61  1  0.574384  0.668462  0.558713  1
  Fe  Fe62  1  0.072034  0.434639  0.617493  1
  Fe  Fe63  1  0.390180  0.461986  0.547166  1
  Fe  Fe64  1  0.889413  0.640585  0.629199  1
  Fe  Fe65  1  0.107233  0.581645  0.583673  1
  Fe  Fe66  1  0.607307  0.521532  0.592468  1
  Fe  Fe67  1  0.422309  0.726217  0.604103  1
  Fe  Fe68  1  0.923040  0.376105  0.572122  1
  Fe  Fe69  1  0.026024  0.771843  0.565495  1
  Fe  Fe70  1  0.971338  0.831292  0.610678  1
  Fe  Fe71  1  0.077649  0.226217  0.604103  1
  Fe  Fe72  1  0.576917  0.876105  0.572122  1
  Fe  Fe73  1  0.892651  0.021532  0.592468  1
  Fe  Fe74  1  0.392725  0.081645  0.583673  1
  Fe  Fe75  1  0.610545  0.140585  0.629199  1
  Fe  Fe76  1  0.109778  0.961986  0.547166  1
  Fe  Fe77  1  0.925574  0.168462  0.558713  1
  Fe  Fe78  1  0.427924  0.934639  0.617493  1
  Fe  Fe79  1  0.528620  0.331292  0.610678  1
  Fe  Fe80  1  0.473933  0.271843  0.565495  1
  Fe  Fe81  1  0.571710  0.788819  0.649551  1
  Fe  Fe82  1  0.071603  0.555014  0.708680  1
  Fe  Fe83  1  0.387458  0.579450  0.638548  1
  Fe  Fe84  1  0.878096  0.755673  0.720140  1
  Fe  Fe85  1  0.101399  0.696841  0.674119  1
  Fe  Fe86  1  0.598609  0.639125  0.683231  1
  Fe  Fe87  1  0.423380  0.839993  0.696266  1
  Fe  Fe88  1  0.918093  0.493367  0.663185  1
  Fe  Fe89  1  0.025352  0.888992  0.656427  1
  Fe  Fe90  1  0.966526  0.949030  0.701647  1
  Fe  Fe91  1  0.076578  0.339993  0.696266  1
  Fe  Fe92  1  0.581865  0.993367  0.663185  1
  Fe  Fe93  1  0.901348  0.139125  0.683231  1
  Fe  Fe94  1  0.398559  0.196841  0.674119  1
  Fe  Fe95  1  0.621862  0.255673  0.720140  1
  Fe  Fe96  1  0.112500  0.079450  0.638548  1
  Fe  Fe97  1  0.928248  0.288819  0.649551  1
  Fe  Fe98  1  0.428355  0.055014  0.708680  1
  Fe  Fe99  1  0.533432  0.449030  0.701647  1
  Fe  Fe100  1  0.474606  0.388992  0.656427  1
  C  C101  1  0.291821  0.063209  0.311723  1
  C  C102  1  0.789638  0.336616  0.318781  1
  C  C103  1  0.199886  0.271290  0.273872  1
  C  C104  1  0.702799  0.120700  0.357274  1
  C  C105  1  0.797159  0.620700  0.357274  1
  C  C106  1  0.300072  0.771290  0.273872  1
  C  C107  1  0.710320  0.836616  0.318781  1
  C  C108  1  0.208136  0.563209  0.311723  1
  C  C109  1  0.293388  0.180280  0.402562  1
  C  C110  1  0.793395  0.450690  0.409942  1
  C  C111  1  0.201974  0.391255  0.364601  1
  C  C112  1  0.704244  0.239247  0.448067  1
  C  C113  1  0.795714  0.739247  0.448067  1
  C  C114  1  0.297984  0.891255  0.364601  1
  C  C115  1  0.706563  0.950690  0.409942  1
  C  C116  1  0.206570  0.680280  0.402562  1
  C  C117  1  0.294101  0.298167  0.493526  1
  C  C118  1  0.794101  0.568758  0.500910  1
  C  C119  1  0.204406  0.509714  0.455474  1
  C  C120  1  0.704406  0.357212  0.538962  1
  C  C121  1  0.795552  0.857212  0.538962  1
  C  C122  1  0.295552  0.009714  0.455474  1
  C  C123  1  0.705857  0.068758  0.500910  1
  C  C124  1  0.205857  0.798167  0.493526  1
  C  C125  1  0.293395  0.416235  0.584494  1
  C  C126  1  0.793388  0.686646  0.591874  1
  C  C127  1  0.204244  0.627679  0.546369  1
  C  C128  1  0.701974  0.475671  0.629835  1
  C  C129  1  0.797984  0.975671  0.629835  1
  C  C130  1  0.295714  0.127679  0.546369  1
  C  C131  1  0.706570  0.186646  0.591874  1
  C  C132  1  0.206563  0.916235  0.584494  1
  C  C133  1  0.289638  0.530309  0.675655  1
  C  C134  1  0.791821  0.803717  0.682713  1
  C  C135  1  0.202799  0.746225  0.637162  1
  C  C136  1  0.699886  0.595635  0.720564  1
  C  C137  1  0.800072  0.095635  0.720564  1
  C  C138  1  0.297159  0.246225  0.637162  1
  C  C139  1  0.708136  0.303717  0.682713  1
  C  C140  1  0.210320  0.030309  0.675655  1
