# generated using pymatgen
data_Fe5C2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.79219590
_cell_length_b   6.87910738
_cell_length_c   47.48947040
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   110.11861681
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe5C2
_chemical_formula_sum   'Fe60 C24'
_cell_volume   1470.01408113
_cell_formula_units_Z   12
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  0.724267  0.117778  0.328003  1
  Fe  Fe2  1  0.957542  0.276247  0.285575  1
  Fe  Fe3  1  0.268564  0.839291  0.320410  1
  Fe  Fe4  1  0.940538  0.629678  0.281326  1
  Fe  Fe5  1  0.735260  0.766431  0.332903  1
  Fe  Fe6  1  0.766992  0.915328  0.289169  1
  Fe  Fe7  1  0.359683  0.302713  0.326530  1
  Fe  Fe8  1  0.911212  0.484089  0.325125  1
  Fe  Fe9  1  0.419775  0.557839  0.294289  1
  Fe  Fe10  1  0.321177  0.090714  0.287512  1
  Fe  Fe11  1  0.934542  0.539889  0.404963  1
  Fe  Fe12  1  0.166042  0.695383  0.363482  1
  Fe  Fe13  1  0.479892  0.259336  0.397092  1
  Fe  Fe14  1  0.158293  0.049097  0.358011  1
  Fe  Fe15  1  0.942346  0.186635  0.410083  1
  Fe  Fe16  1  0.981195  0.330981  0.366262  1
  Fe  Fe17  1  0.571531  0.723003  0.403396  1
  Fe  Fe18  1  0.119410  0.906201  0.402084  1
  Fe  Fe19  1  0.622715  0.977294  0.371453  1
  Fe  Fe20  1  0.528034  0.513380  0.364983  1
  Fe  Fe21  1  0.143920  0.961153  0.482072  1
  Fe  Fe22  1  0.375574  0.117181  0.440651  1
  Fe  Fe23  1  0.689150  0.680456  0.474140  1
  Fe  Fe24  1  0.368054  0.470489  0.435463  1
  Fe  Fe25  1  0.151626  0.607971  0.487249  1
  Fe  Fe26  1  0.190758  0.751455  0.443474  1
  Fe  Fe27  1  0.781361  0.144235  0.480541  1
  Fe  Fe28  1  0.328899  0.327070  0.479242  1
  Fe  Fe29  1  0.830555  0.398041  0.448602  1
  Fe  Fe30  1  0.738027  0.934266  0.442176  1
  Fe  Fe31  1  0.353600  0.382459  0.559236  1
  Fe  Fe32  1  0.585254  0.538487  0.517815  1
  Fe  Fe33  1  0.898619  0.101599  0.551285  1
  Fe  Fe34  1  0.577548  0.891669  0.512638  1
  Fe  Fe35  1  0.361120  0.029151  0.564424  1
  Fe  Fe36  1  0.400275  0.172570  0.520645  1
  Fe  Fe37  1  0.991147  0.565374  0.557710  1
  Fe  Fe38  1  0.538416  0.748185  0.556413  1
  Fe  Fe39  1  0.040024  0.819184  0.525746  1
  Fe  Fe40  1  0.947813  0.355405  0.519346  1
  Fe  Fe41  1  0.563132  0.804257  0.636405  1
  Fe  Fe42  1  0.794632  0.959751  0.594924  1
  Fe  Fe43  1  0.106459  0.522346  0.628434  1
  Fe  Fe44  1  0.786828  0.313005  0.589804  1
  Fe  Fe45  1  0.570881  0.450543  0.641876  1
  Fe  Fe46  1  0.609765  0.593439  0.597803  1
  Fe  Fe47  1  0.201140  0.986260  0.634904  1
  Fe  Fe48  1  0.747979  0.168659  0.633625  1
  Fe  Fe49  1  0.249282  0.240304  0.602795  1
  Fe  Fe50  1  0.157643  0.776637  0.596491  1
  Fe  Fe51  1  0.771632  0.223393  0.714311  1
  Fe  Fe52  1  0.004907  0.381862  0.671884  1
  Fe  Fe53  1  0.309399  0.941801  0.705598  1
  Fe  Fe54  1  0.993914  0.733209  0.666984  1
  Fe  Fe55  1  0.788636  0.869962  0.718561  1
  Fe  Fe56  1  0.817963  0.015551  0.674762  1
  Fe  Fe57  1  0.407997  0.408926  0.712375  1
  Fe  Fe58  1  0.962182  0.584312  0.710718  1
  Fe  Fe59  1  0.460610  0.660348  0.679477  1
  Fe  Fe60  1  0.369491  0.196927  0.673357  1
  C  C61  1  0.348252  0.810364  0.281276  1
  C  C62  1  0.632464  0.366541  0.295359  1
  C  C63  1  0.050041  0.026727  0.318835  1
  C  C64  1  0.329426  0.581872  0.333303  1
  C  C65  1  0.563255  0.235254  0.357911  1
  C  C66  1  0.842682  0.790541  0.372086  1
  C  C67  1  0.257690  0.444628  0.396353  1
  C  C68  1  0.536946  0.001398  0.410580  1
  C  C69  1  0.773188  0.656197  0.434974  1
  C  C70  1  0.052173  0.212332  0.449206  1
  C  C71  1  0.467372  0.866058  0.473524  1
  C  C72  1  0.746418  0.422411  0.487764  1
  C  C73  1  0.982756  0.077229  0.512123  1
  C  C74  1  0.261803  0.633582  0.526363  1
  C  C75  1  0.677001  0.287307  0.550681  1
  C  C76  1  0.955986  0.843443  0.564913  1
  C  C77  1  0.192228  0.498242  0.589307  1
  C  C78  1  0.471484  0.055012  0.603534  1
  C  C79  1  0.886492  0.709099  0.627801  1
  C  C80  1  0.165919  0.264386  0.641976  1
  C  C81  1  0.399748  0.917768  0.666584  1
  C  C82  1  0.679133  0.472913  0.681052  1
  C  C83  1  0.096710  0.133099  0.704528  1
  C  C84  1  0.380922  0.689276  0.718611  1
