# generated using pymatgen
data_Fe2C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.80164538
_cell_length_b   6.53959901
_cell_length_c   49.37660417
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   117.98943458
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2C
_chemical_formula_sum   'Fe64 C32'
_cell_volume   1939.38406125
_cell_formula_units_Z   32
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  0.138140  0.826198  0.307427  1
  Fe  Fe2  1  0.492919  0.998741  0.279645  1
  Fe  Fe3  1  0.096066  0.425871  0.298739  1
  Fe  Fe4  1  0.742023  0.252221  0.326439  1
  Fe  Fe5  1  0.832922  0.941798  0.296539  1
  Fe  Fe6  1  0.477581  0.769542  0.324214  1
  Fe  Fe7  1  0.769565  0.487291  0.283941  1
  Fe  Fe8  1  0.405564  0.308584  0.310346  1
  Fe  Fe9  1  0.435102  0.480254  0.363049  1
  Fe  Fe10  1  0.785958  0.652788  0.335276  1
  Fe  Fe11  1  0.389050  0.080366  0.354411  1
  Fe  Fe12  1  0.037363  0.909767  0.382247  1
  Fe  Fe13  1  0.125149  0.597171  0.351812  1
  Fe  Fe14  1  0.772880  0.425213  0.379543  1
  Fe  Fe15  1  0.051857  0.135553  0.338007  1
  Fe  Fe16  1  0.699314  0.963441  0.365707  1
  Fe  Fe17  1  0.730703  0.136473  0.418538  1
  Fe  Fe18  1  0.082363  0.308897  0.390718  1
  Fe  Fe19  1  0.684773  0.736902  0.410064  1
  Fe  Fe20  1  0.333182  0.564853  0.437799  1
  Fe  Fe21  1  0.421040  0.253442  0.407314  1
  Fe  Fe22  1  0.068940  0.081546  0.435129  1
  Fe  Fe23  1  0.347187  0.791557  0.393513  1
  Fe  Fe24  1  0.995381  0.619778  0.421291  1
  Fe  Fe25  1  0.026954  0.792416  0.474121  1
  Fe  Fe26  1  0.378822  0.964444  0.446346  1
  Fe  Fe27  1  0.981492  0.392788  0.465533  1
  Fe  Fe28  1  0.629493  0.221122  0.493315  1
  Fe  Fe29  1  0.716930  0.909662  0.462887  1
  Fe  Fe30  1  0.364965  0.737771  0.490649  1
  Fe  Fe31  1  0.643196  0.447770  0.449031  1
  Fe  Fe32  1  0.291221  0.275883  0.476797  1
  Fe  Fe33  1  0.322810  0.448844  0.529691  1
  Fe  Fe34  1  0.674958  0.620755  0.501908  1
  Fe  Fe35  1  0.277541  0.049245  0.521115  1
  Fe  Fe36  1  0.925389  0.877571  0.548866  1
  Fe  Fe37  1  0.013092  0.565961  0.518421  1
  Fe  Fe38  1  0.661229  0.394210  0.546208  1
  Fe  Fe39  1  0.939247  0.104033  0.504582  1
  Fe  Fe40  1  0.587359  0.932231  0.532352  1
  Fe  Fe41  1  0.618937  0.105868  0.585285  1
  Fe  Fe42  1  0.971009  0.276952  0.557445  1
  Fe  Fe43  1  0.573479  0.705663  0.576666  1
  Fe  Fe44  1  0.221943  0.532991  0.604497  1
  Fe  Fe45  1  0.309022  0.222121  0.573970  1
  Fe  Fe46  1  0.957083  0.050324  0.601697  1
  Fe  Fe47  1  0.235560  0.760404  0.560111  1
  Fe  Fe48  1  0.883207  0.588371  0.587878  1
  Fe  Fe49  1  0.915224  0.760764  0.640750  1
  Fe  Fe50  1  0.267761  0.931796  0.612861  1
  Fe  Fe51  1  0.869527  0.361799  0.632204  1
  Fe  Fe52  1  0.517772  0.187566  0.660167  1
  Fe  Fe53  1  0.604702  0.878153  0.629477  1
  Fe  Fe54  1  0.253049  0.706397  0.657208  1
  Fe  Fe55  1  0.531498  0.416549  0.615609  1
  Fe  Fe56  1  0.179089  0.244435  0.643431  1
  Fe  Fe57  1  0.209709  0.414201  0.696352  1
  Fe  Fe58  1  0.562329  0.588623  0.668738  1
  Fe  Fe59  1  0.165980  0.016506  0.687598  1
  Fe  Fe60  1  0.812188  0.842715  0.715535  1
  Fe  Fe61  1  0.901019  0.534576  0.685060  1
  Fe  Fe62  1  0.536216  0.355447  0.711152  1
  Fe  Fe63  1  0.827396  0.072263  0.670915  1
  Fe  Fe64  1  0.472966  0.901652  0.698914  1
  C  C65  1  0.264375  0.452420  0.330986  1
  C  C66  1  0.616254  0.625712  0.303121  1
  C  C67  1  0.795341  0.209751  0.289146  1
  C  C68  1  0.440214  0.037926  0.317047  1
  C  C69  1  0.559875  0.108340  0.386471  1
  C  C70  1  0.911549  0.280328  0.358630  1
  C  C71  1  0.087630  0.865815  0.344900  1
  C  C72  1  0.736235  0.694524  0.372711  1
  C  C73  1  0.856035  0.764664  0.442076  1
  C  C74  1  0.208002  0.936665  0.414290  1
  C  C75  1  0.383706  0.522259  0.400417  1
  C  C76  1  0.032057  0.350503  0.428141  1
  C  C77  1  0.152150  0.420883  0.497615  1
  C  C78  1  0.504120  0.592767  0.469848  1
  C  C79  1  0.680144  0.178724  0.455931  1
  C  C80  1  0.328164  0.006877  0.483729  1
  C  C81  1  0.448420  0.077332  0.553175  1
  C  C82  1  0.800189  0.249111  0.525388  1
  C  C83  1  0.976273  0.835050  0.511495  1
  C  C84  1  0.624110  0.663118  0.539286  1
  C  C85  1  0.744394  0.733516  0.608715  1
  C  C86  1  0.096209  0.905186  0.580914  1
  C  C87  1  0.272206  0.491266  0.567076  1
  C  C88  1  0.920535  0.319634  0.594826  1
  C  C89  1  0.040342  0.389677  0.664261  1
  C  C90  1  0.392820  0.561154  0.636566  1
  C  C91  1  0.568033  0.147523  0.622687  1
  C  C92  1  0.216733  0.975625  0.650179  1
  C  C93  1  0.330188  0.040500  0.720156  1
  C  C94  1  0.690379  0.217138  0.692122  1
  C  C95  1  0.864009  0.803478  0.678102  1
  C  C96  1  0.509572  0.632611  0.706002  1
