# generated using pymatgen
data_Fe5C2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.61029437
_cell_length_b   7.79130011
_cell_length_c   45.27687231
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   75.78392506
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe5C2
_chemical_formula_sum   'Fe90 C36'
_cell_volume   2260.4746082
_cell_formula_units_Z   18
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  0.620664  0.483502  0.287437  1
  Fe  Fe2  1  0.752629  0.686478  0.317251  1
  Fe  Fe3  1  0.187209  0.255223  0.288047  1
  Fe  Fe4  1  0.873565  0.157782  0.302769  1
  Fe  Fe5  1  0.514284  0.005616  0.303392  1
  Fe  Fe6  1  0.526534  0.278020  0.322314  1
  Fe  Fe7  1  0.266971  0.673411  0.289326  1
  Fe  Fe8  1  0.865179  0.860652  0.281466  1
  Fe  Fe9  1  0.181744  0.920440  0.317701  1
  Fe  Fe10  1  0.106394  0.496228  0.317521  1
  Fe  Fe11  1  0.244895  0.164755  0.339171  1
  Fe  Fe12  1  0.371285  0.365490  0.367350  1
  Fe  Fe13  1  0.816001  0.931947  0.338409  1
  Fe  Fe14  1  0.490392  0.840808  0.352660  1
  Fe  Fe15  1  0.128572  0.688927  0.354332  1
  Fe  Fe16  1  0.147219  0.956992  0.371844  1
  Fe  Fe17  1  0.883567  0.355097  0.339834  1
  Fe  Fe18  1  0.473155  0.572631  0.334575  1
  Fe  Fe19  1  0.800691  0.599609  0.368310  1
  Fe  Fe20  1  0.728716  0.177050  0.367318  1
  Fe  Fe21  1  0.863390  0.845986  0.389249  1
  Fe  Fe22  1  0.988967  0.047007  0.417416  1
  Fe  Fe23  1  0.433779  0.612701  0.388599  1
  Fe  Fe24  1  0.109197  0.522597  0.402690  1
  Fe  Fe25  1  0.744067  0.370017  0.404134  1
  Fe  Fe26  1  0.764906  0.638004  0.421753  1
  Fe  Fe27  1  0.503403  0.035324  0.389316  1
  Fe  Fe28  1  0.087248  0.255346  0.384992  1
  Fe  Fe29  1  0.418352  0.280278  0.418196  1
  Fe  Fe30  1  0.349439  0.857515  0.417379  1
  Fe  Fe31  1  0.481323  0.526851  0.439262  1
  Fe  Fe32  1  0.607088  0.727527  0.467419  1
  Fe  Fe33  1  0.052047  0.293346  0.438517  1
  Fe  Fe34  1  0.727135  0.203341  0.452624  1
  Fe  Fe35  1  0.361398  0.051105  0.454000  1
  Fe  Fe36  1  0.383409  0.318632  0.471723  1
  Fe  Fe37  1  0.121424  0.716159  0.439391  1
  Fe  Fe38  1  0.705207  0.935543  0.434877  1
  Fe  Fe39  1  0.036309  0.961081  0.468110  1
  Fe  Fe40  1  0.966979  0.538260  0.467308  1
  Fe  Fe41  1  0.099388  0.207569  0.489207  1
  Fe  Fe42  1  0.225116  0.408193  0.517334  1
  Fe  Fe43  1  0.670162  0.974022  0.488464  1
  Fe  Fe44  1  0.345117  0.883987  0.502597  1
  Fe  Fe45  1  0.979388  0.731776  0.503945  1
  Fe  Fe46  1  0.001344  -0.000727  0.521654  1
  Fe  Fe47  1  0.739515  0.396881  0.489299  1
  Fe  Fe48  1  0.323160  0.616489  0.484888  1
  Fe  Fe49  1  0.654342  0.641741  0.518078  1
  Fe  Fe50  1  0.584990  0.218881  0.517243  1
  Fe  Fe51  1  0.717417  0.888236  0.539122  1
  Fe  Fe52  1  0.843181  0.088911  0.567280  1
  Fe  Fe53  1  0.288195  0.654681  0.538432  1
  Fe  Fe54  1  0.963106  0.564657  0.552542  1
  Fe  Fe55  1  0.597369  0.412421  0.553918  1
  Fe  Fe56  1  0.619297  0.680219  0.571664  1
  Fe  Fe57  1  0.357525  0.077502  0.539234  1
  Fe  Fe58  1  0.941096  0.297130  0.534819  1
  Fe  Fe59  1  0.272457  0.322416  0.568025  1
  Fe  Fe60  1  0.203080  0.899603  0.567151  1
  Fe  Fe61  1  0.335537  0.568755  0.589125  1
  Fe  Fe62  1  0.461114  0.769776  0.617293  1
  Fe  Fe63  1  0.906153  0.335484  0.588345  1
  Fe  Fe64  1  0.580437  0.245745  0.602407  1
  Fe  Fe65  1  0.215307  0.093166  0.603851  1
  Fe  Fe66  1  0.237256  0.360416  0.621550  1
  Fe  Fe67  1  0.975065  0.758248  0.589163  1
  Fe  Fe68  1  0.559599  0.977758  0.584788  1
  Fe  Fe69  1  0.890725  0.003061  0.617943  1
  Fe  Fe70  1  0.821101  0.580439  0.617226  1
  Fe  Fe71  1  0.953219  0.250272  0.639192  1
  Fe  Fe72  1  0.079609  0.451007  0.667371  1
  Fe  Fe73  1  0.523814  0.016153  0.638232  1
  Fe  Fe74  1  0.195932  0.926835  0.652210  1
  Fe  Fe75  1  0.834112  0.774954  0.653881  1
  Fe  Fe76  1  0.851349  0.043131  0.671967  1
  Fe  Fe77  1  0.595788  0.438712  0.639223  1
  Fe  Fe78  1  0.177285  0.658770  0.634698  1
  Fe  Fe79  1  0.508504  0.683815  0.668133  1
  Fe  Fe80  1  0.440938  0.260665  0.666707  1
  Fe  Fe81  1  0.571875  0.929284  0.689291  1
  Fe  Fe82  1  0.703841  0.132261  0.719104  1
  Fe  Fe83  1  0.142761  0.695322  0.688841  1
  Fe  Fe84  1  0.810220  0.610146  0.703150  1
  Fe  Fe85  1  0.450939  0.457980  0.703773  1
  Fe  Fe86  1  0.459325  0.755110  0.725075  1
  Fe  Fe87  1  0.218111  0.119534  0.689021  1
  Fe  Fe88  1  0.797970  0.337742  0.684227  1
  Fe  Fe89  1  0.137295  0.360540  0.718495  1
  Fe  Fe90  1  0.057533  0.942352  0.717216  1
  C  C91  1  0.359307  0.420038  0.292303  1
  C  C92  1  0.458920  0.778175  0.310421  1
  C  C93  1  0.910522  0.392736  0.297053  1
  C  C94  1  0.015603  0.750049  0.315555  1
  C  C95  1  0.982090  0.101772  0.341937  1
  C  C96  1  0.077903  0.459019  0.360578  1
  C  C97  1  0.538180  0.071375  0.346064  1
  C  C98  1  0.633104  0.430684  0.365232  1
  C  C99  1  0.600993  0.781933  0.391640  1
  C  C100  1  0.695530  0.139484  0.410518  1
  C  C101  1  0.156639  0.753505  0.396304  1
  C  C102  1  0.251482  0.110862  0.415013  1
  C  C103  1  0.218948  0.462757  0.441682  1
  C  C104  1  0.313704  0.820417  0.460533  1
  C  C105  1  0.774753  0.434102  0.446133  1
  C  C106  1  0.869424  0.791648  0.464964  1
  C  C107  1  0.837012  0.143478  0.491610  1
  C  C108  1  0.931699  0.501083  0.510475  1
  C  C109  1  0.392805  0.114679  0.496067  1
  C  C110  1  0.487493  0.472284  0.514932  1
  C  C111  1  0.455080  0.824114  0.541577  1
  C  C112  1  0.549752  0.181660  0.560409  1
  C  C113  1  0.010801  0.795346  0.546009  1
  C  C114  1  0.105557  0.153005  0.564859  1
  C  C115  1  0.073022  0.504900  0.591528  1
  C  C116  1  0.167865  0.862257  0.610238  1
  C  C117  1  0.628974  0.476278  0.596024  1
  C  C118  1  0.723512  0.833829  0.614902  1
  C  C119  1  0.691400  0.185078  0.641310  1
  C  C120  1  0.786324  0.544387  0.660478  1
  C  C121  1  0.246602  0.156744  0.645964  1
  C  C122  1  0.342414  0.513990  0.664605  1
  C  C123  1  0.308902  0.865713  0.690987  1
  C  C124  1  0.413983  0.223026  0.709488  1
  C  C125  1  0.865585  0.837588  0.696121  1
  C  C126  1  0.965198  0.195724  0.714239  1
