# generated using pymatgen
data_Fe5C2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.78097387
_cell_length_b   5.74431145
_cell_length_c   49.79867947
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   114.43616527
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe5C2
_chemical_formula_sum   'Fe50 C20'
_cell_volume   1245.13162945
_cell_formula_units_Z   10
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  0.664433  0.986576  0.279024  1
  Fe  Fe2  1  0.966886  0.262888  0.356529  1
  Fe  Fe3  1  0.202710  0.669562  0.339448  1
  Fe  Fe4  1  0.015447  0.730094  0.294340  1
  Fe  Fe5  1  0.629651  0.521809  0.342055  1
  Fe  Fe6  1  0.795629  0.927025  0.325693  1
  Fe  Fe7  1  0.306336  0.159935  0.295491  1
  Fe  Fe8  1  0.849182  0.326451  0.310565  1
  Fe  Fe9  1  0.436223  0.585649  0.296911  1
  Fe  Fe10  1  0.335050  0.093102  0.340985  1
  Fe  Fe11  1  0.612469  0.860803  0.370793  1
  Fe  Fe12  1  0.901785  0.133454  0.446974  1
  Fe  Fe13  1  0.137270  0.538682  0.430367  1
  Fe  Fe14  1  0.950443  0.603510  0.385112  1
  Fe  Fe15  1  0.564207  0.391268  0.432727  1
  Fe  Fe16  1  0.732576  0.797540  0.416282  1
  Fe  Fe17  1  0.245784  0.030437  0.386202  1
  Fe  Fe18  1  0.782206  0.197665  0.401541  1
  Fe  Fe19  1  0.377728  0.457013  0.387506  1
  Fe  Fe20  1  0.268180  0.964195  0.431625  1
  Fe  Fe21  1  0.547129  0.730685  0.461562  1
  Fe  Fe22  1  0.836454  0.002566  0.537623  1
  Fe  Fe23  1  0.071669  0.407263  0.521067  1
  Fe  Fe24  1  0.884955  0.473109  0.475784  1
  Fe  Fe25  1  0.498629  0.260143  0.523401  1
  Fe  Fe26  1  0.666916  0.666644  0.506987  1
  Fe  Fe27  1  0.180993  0.899844  0.476879  1
  Fe  Fe28  1  0.716668  0.066608  0.492198  1
  Fe  Fe29  1  0.311915  0.325989  0.478118  1
  Fe  Fe30  1  0.202591  0.833408  0.522306  1
  Fe  Fe31  1  0.481799  0.599797  0.552210  1
  Fe  Fe32  1  0.771115  0.872448  0.628392  1
  Fe  Fe33  1  0.005856  0.276238  0.611679  1
  Fe  Fe34  1  0.819377  0.341983  0.566458  1
  Fe  Fe35  1  0.433140  0.129742  0.614073  1
  Fe  Fe36  1  0.601377  0.535586  0.597644  1
  Fe  Fe37  1  0.115404  0.769057  0.567560  1
  Fe  Fe38  1  0.651008  0.935711  0.582903  1
  Fe  Fe39  1  0.246313  0.194570  0.568818  1
  Fe  Fe40  1  0.137800  0.702815  0.612983  1
  Fe  Fe41  1  0.416698  0.470364  0.642656  1
  Fe  Fe42  1  0.719151  0.746675  0.720161  1
  Fe  Fe43  1  0.947361  0.147602  0.702274  1
  Fe  Fe44  1  0.753933  0.211443  0.657129  1
  Fe  Fe45  1  0.368137  0.003158  0.704844  1
  Fe  Fe46  1  0.534402  0.406801  0.688620  1
  Fe  Fe47  1  0.048534  0.640149  0.658200  1
  Fe  Fe48  1  0.587955  0.806226  0.673492  1
  Fe  Fe49  1  0.180874  0.063689  0.659736  1
  Fe  Fe50  1  0.077248  0.573316  0.703694  1
  C  C51  1  0.412692  0.899741  0.310760  1
  C  C52  1  0.670140  0.421782  0.280282  1
  C  C53  1  0.970465  0.833402  0.356379  1
  C  C54  1  0.231872  0.354795  0.325672  1
  C  C55  1  0.347503  0.768528  0.401677  1
  C  C56  1  0.608921  0.291376  0.370753  1
  C  C57  1  0.905005  0.703501  0.447101  1
  C  C58  1  0.167280  0.226483  0.416133  1
  C  C59  1  0.281717  0.637623  0.492413  1
  C  C60  1  0.543951  0.160841  0.461411  1
  C  C61  1  0.839633  0.572411  0.537774  1
  C  C62  1  0.101866  0.095628  0.506772  1
  C  C63  1  0.216304  0.506769  0.583051  1
  C  C64  1  0.478578  0.029750  0.552084  1
  C  C65  1  0.774663  0.441875  0.628432  1
  C  C66  1  0.036081  0.964723  0.597508  1
  C  C67  1  0.151712  0.378457  0.673513  1
  C  C68  1  0.413119  0.899849  0.642806  1
  C  C69  1  0.713444  0.311470  0.718903  1
  C  C70  1  0.970892  0.833511  0.688425  1
