# generated using pymatgen
data_Fe2C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.17037706
_cell_length_b   4.26578401
_cell_length_c   47.53667472
_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   'Fe44 C22'
_cell_volume   1251.23638458
_cell_formula_units_Z   22
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  0.324210  0.240693  0.299878  1
  Fe  Fe2  1  0.810297  0.642272  0.274337  1
  Fe  Fe3  1  0.187522  0.642272  0.274337  1
  Fe  Fe4  1  0.673609  0.240693  0.299878  1
  Fe  Fe5  1  0.332478  0.538715  0.342547  1
  Fe  Fe6  1  0.831456  0.882164  0.321671  1
  Fe  Fe7  1  0.166363  0.882164  0.321671  1
  Fe  Fe8  1  0.665341  0.538715  0.342547  1
  Fe  Fe9  1  0.332627  0.847102  0.383781  1
  Fe  Fe10  1  0.831802  0.192339  0.363187  1
  Fe  Fe11  1  0.166017  0.192339  0.363187  1
  Fe  Fe12  1  0.665192  0.847102  0.383781  1
  Fe  Fe13  1  0.332418  0.155132  0.425169  1
  Fe  Fe14  1  0.831498  0.500890  0.404522  1
  Fe  Fe15  1  0.166321  0.500890  0.404522  1
  Fe  Fe16  1  0.665401  0.155132  0.425169  1
  Fe  Fe17  1  0.331914  0.463163  0.466757  1
  Fe  Fe18  1  0.831969  0.809125  0.446022  1
  Fe  Fe19  1  0.165849  0.809125  0.446022  1
  Fe  Fe20  1  0.665905  0.463163  0.466757  1
  Fe  Fe21  1  0.332010  0.771431  0.508194  1
  Fe  Fe22  1  0.832010  0.117243  0.487478  1
  Fe  Fe23  1  0.165809  0.117243  0.487478  1
  Fe  Fe24  1  0.665809  0.771431  0.508194  1
  Fe  Fe25  1  0.331969  0.079549  0.549650  1
  Fe  Fe26  1  0.831914  0.425510  0.528916  1
  Fe  Fe27  1  0.165905  0.425510  0.528916  1
  Fe  Fe28  1  0.665849  0.079549  0.549650  1
  Fe  Fe29  1  0.331498  0.387783  0.591150  1
  Fe  Fe30  1  0.832418  0.733542  0.570503  1
  Fe  Fe31  1  0.165401  0.733542  0.570503  1
  Fe  Fe32  1  0.666321  0.387783  0.591150  1
  Fe  Fe33  1  0.331802  0.696334  0.632485  1
  Fe  Fe34  1  0.832627  0.041572  0.611891  1
  Fe  Fe35  1  0.165192  0.041572  0.611891  1
  Fe  Fe36  1  0.666017  0.696334  0.632485  1
  Fe  Fe37  1  0.331456  0.006510  0.674001  1
  Fe  Fe38  1  0.832478  0.349958  0.653125  1
  Fe  Fe39  1  0.165341  0.349958  0.653125  1
  Fe  Fe40  1  0.666363  0.006510  0.674001  1
  Fe  Fe41  1  0.310297  0.246401  0.721335  1
  Fe  Fe42  1  0.824210  0.647981  0.695794  1
  Fe  Fe43  1  0.173609  0.647981  0.695794  1
  Fe  Fe44  1  0.687522  0.246401  0.721335  1
  C  C45  1  -0.001091  0.228002  0.301274  1
  C  C46  1  0.498909  0.570165  0.280348  1
  C  C47  1  -0.001091  0.537975  0.342461  1
  C  C48  1  0.498909  0.886889  0.321502  1
  C  C49  1  -0.001091  0.846689  0.383852  1
  C  C50  1  0.498909  0.194148  0.362643  1
  C  C51  1  -0.001091  0.154830  0.425289  1
  C  C52  1  0.498909  0.500920  0.404609  1
  C  C53  1  -0.001091  0.463117  0.466707  1
  C  C54  1  0.498909  0.809202  0.446006  1
  C  C55  1  -0.001091  0.771285  0.508231  1
  C  C56  1  0.498909  0.117389  0.487441  1
  C  C57  1  -0.001091  0.079471  0.549666  1
  C  C58  1  0.498909  0.425556  0.528965  1
  C  C59  1  -0.001091  0.387753  0.591063  1
  C  C60  1  0.498909  0.733844  0.570383  1
  C  C61  1  -0.001091  0.694525  0.633029  1
  C  C62  1  0.498909  0.041984  0.611821  1
  C  C63  1  -0.001091  0.001785  0.674171  1
  C  C64  1  0.498909  0.350698  0.653211  1
  C  C65  1  -0.001091  0.318508  0.715324  1
  C  C66  1  0.498909  0.660672  0.694399  1
