# generated using pymatgen
data_Fe2C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.67346465
_cell_length_b   9.48219615
_cell_length_c   48.61368738
_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   'Fe72 C36'
_cell_volume   2154.30138368
_cell_formula_units_Z   36
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  0.274384  0.909721  0.293203  1
  Fe  Fe2  1  0.273366  0.374228  0.317844  1
  Fe  Fe3  1  0.724604  0.769719  0.286034  1
  Fe  Fe4  1  0.729993  0.235253  0.310501  1
  Fe  Fe5  1  0.228949  0.642357  0.305694  1
  Fe  Fe6  1  0.220300  0.175854  0.281195  1
  Fe  Fe7  1  0.775021  0.968143  0.323166  1
  Fe  Fe8  1  0.771579  0.503918  0.298238  1
  Fe  Fe9  1  0.275264  0.838689  0.343166  1
  Fe  Fe10  1  0.275206  0.303333  0.368172  1
  Fe  Fe11  1  0.726350  0.699857  0.335596  1
  Fe  Fe12  1  0.727041  0.165132  0.360597  1
  Fe  Fe13  1  0.224615  0.570902  0.355783  1
  Fe  Fe14  1  0.229375  0.107465  0.330326  1
  Fe  Fe15  1  0.773904  0.897745  0.373173  1
  Fe  Fe16  1  0.775702  0.432591  0.348245  1
  Fe  Fe17  1  0.273635  0.768517  0.393068  1
  Fe  Fe18  1  0.274128  0.233102  0.418109  1
  Fe  Fe19  1  0.726489  0.629868  0.385687  1
  Fe  Fe20  1  0.726283  0.094483  0.410655  1
  Fe  Fe21  1  0.226740  0.500841  0.405583  1
  Fe  Fe22  1  0.226623  0.035967  0.380568  1
  Fe  Fe23  1  0.774195  0.826848  0.423164  1
  Fe  Fe24  1  0.774407  0.362061  0.398167  1
  Fe  Fe25  1  0.274486  0.697677  0.443125  1
  Fe  Fe26  1  0.274097  0.162490  0.468103  1
  Fe  Fe27  1  0.726393  0.559218  0.435673  1
  Fe  Fe28  1  0.726364  0.023941  0.460677  1
  Fe  Fe29  1  0.226453  0.430110  0.455601  1
  Fe  Fe30  1  0.226087  0.965310  0.430635  1
  Fe  Fe31  1  0.774275  0.756254  0.473172  1
  Fe  Fe32  1  0.774210  0.291592  0.448170  1
  Fe  Fe33  1  0.274269  0.627149  0.493117  1
  Fe  Fe34  1  0.274279  0.091854  0.518118  1
  Fe  Fe35  1  0.726373  0.488606  0.485667  1
  Fe  Fe36  1  0.726407  0.953316  0.510677  1
  Fe  Fe37  1  0.226380  0.359496  0.505620  1
  Fe  Fe38  1  0.226411  0.894817  0.480615  1
  Fe  Fe39  1  0.774229  0.685662  0.523177  1
  Fe  Fe40  1  0.774226  0.220972  0.498172  1
  Fe  Fe41  1  0.274216  0.556538  0.543115  1
  Fe  Fe42  1  0.274238  0.021271  0.568124  1
  Fe  Fe43  1  0.726425  0.418017  0.535680  1
  Fe  Fe44  1  0.726274  0.882742  0.560666  1
  Fe  Fe45  1  0.226433  0.288918  0.555623  1
  Fe  Fe46  1  0.226342  0.824201  0.530611  1
  Fe  Fe47  1  0.774173  0.615056  0.573173  1
  Fe  Fe48  1  0.774324  0.150399  0.548177  1
  Fe  Fe49  1  0.274346  0.485957  0.593121  1
  Fe  Fe50  1  0.273623  0.950710  0.618155  1
  Fe  Fe51  1  0.726663  0.347329  0.585698  1
  Fe  Fe52  1  0.725896  0.812333  0.610665  1
  Fe  Fe53  1  0.226159  0.218293  0.605598  1
  Fe  Fe54  1  0.226318  0.753583  0.580619  1
  Fe  Fe55  1  0.774486  0.544599  0.623170  1
  Fe  Fe56  1  0.774000  0.079670  0.598197  1
  Fe  Fe57  1  0.275174  0.415302  0.643086  1
  Fe  Fe58  1  0.275430  0.880595  0.667938  1
  Fe  Fe59  1  0.725879  0.276954  0.635630  1
  Fe  Fe60  1  0.726529  0.741483  0.660797  1
  Fe  Fe61  1  0.226657  0.147878  0.655683  1
  Fe  Fe62  1  0.227322  0.683120  0.630700  1
  Fe  Fe63  1  0.772384  0.473088  0.673437  1
  Fe  Fe64  1  0.775373  0.009604  0.648083  1
  Fe  Fe65  1  0.270387  0.344526  0.693377  1
  Fe  Fe66  1  0.280715  0.810820  0.717605  1
  Fe  Fe67  1  0.727325  0.206626  0.685719  1
  Fe  Fe68  1  0.736347  0.666516  0.710571  1
  Fe  Fe69  1  0.227361  0.076633  0.705535  1
  Fe  Fe70  1  0.226531  0.612443  0.680605  1
  Fe  Fe71  1  0.782387  0.405782  0.722620  1
  Fe  Fe72  1  0.770737  0.937122  0.698372  1
  C  C73  1  0.503063  0.072520  0.301615  1
  C  C74  1  0.498576  0.607442  0.276631  1
  C  C75  1  0.000968  0.804844  0.314477  1
  C  C76  1  0.999310  0.341912  0.289052  1
  C  C77  1  0.500435  0.002230  0.351824  1
  C  C78  1  0.499370  0.536588  0.327159  1
  C  C79  1  0.999629  0.734631  0.364345  1
  C  C80  1  0.001754  0.269623  0.339397  1
  C  C81  1  0.500026  0.931411  0.401912  1
  C  C82  1  0.500735  0.466715  0.376870  1
  C  C83  1  1.000446  0.663792  0.414409  1
  C  C84  1  1.000388  0.198952  0.389377  1
  C  C85  1  0.500356  0.860842  0.451893  1
  C  C86  1  0.500370  0.396145  0.426877  1
  C  C87  1  1.000358  0.593172  0.464393  1
  C  C88  1  1.000181  0.128493  0.439380  1
  C  C89  1  0.500337  0.790237  0.501893  1
  C  C90  1  0.500264  0.325528  0.476893  1
  C  C91  1  1.000286  0.522583  0.514391  1
  C  C92  1  1.000327  0.057893  0.489397  1
  C  C93  1  0.500242  0.719635  0.551895  1
  C  C94  1  0.500342  0.254941  0.526898  1
  C  C95  1  1.000338  0.451990  0.564405  1
  C  C96  1  1.000339  0.987295  0.539399  1
  C  C97  1  0.500323  0.649071  0.601901  1
  C  C98  1  0.500375  0.184340  0.576900  1
  C  C99  1  1.000504  0.381455  0.614424  1
  C  C100  1  1.000222  0.916671  0.589389  1
  C  C101  1  0.501116  0.578282  0.651953  1
  C  C102  1  0.499931  0.113763  0.626904  1
  C  C103  1  1.000253  0.311078  0.664303  1
  C  C104  1  0.999850  0.845854  0.639403  1
  C  C105  1  0.497750  0.507320  0.702100  1
  C  C106  1  0.501826  0.043448  0.676839  1
  C  C107  1  0.999197  0.238459  0.714722  1
  C  C108  1  0.002159  0.776198  0.689332  1
