# generated using pymatgen
data_Fe2C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.56131249
_cell_length_b   6.60209092
_cell_length_c   48.72880357
_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   'Fe40 C20'
_cell_volume   1145.7169322
_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  -0.000929  0.177067  0.271248  1
  Fe  Fe2  1  0.499071  0.688488  0.299247  1
  Fe  Fe3  1  0.499071  0.985600  0.284207  1
  Fe  Fe4  1  -0.000929  0.537525  0.306755  1
  Fe  Fe5  1  -0.000929  0.245593  0.321584  1
  Fe  Fe6  1  0.499071  0.812963  0.344285  1
  Fe  Fe7  1  0.499071  0.102212  0.329447  1
  Fe  Fe8  1  -0.000929  0.668463  0.351856  1
  Fe  Fe9  1  -0.000929  0.377525  0.366981  1
  Fe  Fe10  1  0.499071  0.941453  0.389778  1
  Fe  Fe11  1  0.499071  0.232335  0.374599  1
  Fe  Fe12  1  -0.000929  0.795968  0.397328  1
  Fe  Fe13  1  -0.000929  0.506094  0.412402  1
  Fe  Fe14  1  0.499071  0.070361  0.435124  1
  Fe  Fe15  1  0.499071  0.360811  0.419984  1
  Fe  Fe16  1  -0.000929  0.924985  0.442683  1
  Fe  Fe17  1  -0.000929  0.634863  0.457760  1
  Fe  Fe18  1  0.499071  0.199192  0.480458  1
  Fe  Fe19  1  0.499071  0.489504  0.465328  1
  Fe  Fe20  1  -0.000929  0.053907  0.488028  1
  Fe  Fe21  1  -0.000929  0.763645  0.503140  1
  Fe  Fe22  1  0.499071  0.328014  0.525812  1
  Fe  Fe23  1  0.499071  0.618226  0.510708  1
  Fe  Fe24  1  -0.000929  0.182690  0.533379  1
  Fe  Fe25  1  -0.000929  0.892248  0.548538  1
  Fe  Fe26  1  0.499071  0.456898  0.571150  1
  Fe  Fe27  1  0.499071  0.746959  0.556111  1
  Fe  Fe28  1  -0.000929  0.311393  0.578719  1
  Fe  Fe29  1  -0.000929  0.021115  0.593904  1
  Fe  Fe30  1  0.499071  0.586075  0.616500  1
  Fe  Fe31  1  0.499071  0.876088  0.601465  1
  Fe  Fe32  1  -0.000929  0.440267  0.624027  1
  Fe  Fe33  1  -0.000929  0.148556  0.639093  1
  Fe  Fe34  1  0.499071  0.714735  0.662260  1
  Fe  Fe35  1  0.499071  0.003379  0.646817  1
  Fe  Fe36  1  -0.000929  0.572350  0.669823  1
  Fe  Fe37  1  -0.000929  0.281277  0.684236  1
  Fe  Fe38  1  0.499071  0.830388  0.707163  1
  Fe  Fe39  1  0.499071  0.130623  0.691898  1
  Fe  Fe40  1  -0.000929  0.648916  0.718781  1
  C  C41  1  0.499071  0.395998  0.314032  1
  C  C42  1  -0.000929  0.827787  0.290976  1
  C  C43  1  0.499071  0.522008  0.359476  1
  C  C44  1  -0.000929  0.958136  0.336961  1
  C  C45  1  0.499071  0.651267  0.404824  1
  C  C46  1  -0.000929  0.086723  0.382229  1
  C  C47  1  0.499071  0.779908  0.450235  1
  C  C48  1  -0.000929  0.215589  0.427524  1
  C  C49  1  0.499071  0.908640  0.495603  1
  C  C50  1  -0.000929  0.344398  0.472896  1
  C  C51  1  0.499071  0.037424  0.540956  1
  C  C52  1  -0.000929  0.473224  0.518249  1
  C  C53  1  0.499071  0.166342  0.586288  1
  C  C54  1  -0.000929  0.602043  0.563612  1
  C  C55  1  0.499071  0.296350  0.631642  1
  C  C56  1  -0.000929  0.730023  0.609072  1
  C  C57  1  0.499071  0.420704  0.676658  1
  C  C58  1  -0.000929  0.858858  0.654391  1
  C  C59  1  0.499071  0.547095  0.723176  1
  C  C60  1  -0.000929  0.994843  0.700015  1
