# generated using pymatgen
data_Fe7C3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.70848252
_cell_length_b   6.70847561
_cell_length_c   49.22352929
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe7C3
_chemical_formula_sum   'Fe70 C30'
_cell_volume   1918.454564
_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  0.448926  0.551835  0.310947  1
  Fe  Fe2  1  0.553935  0.107261  0.352210  1
  Fe  Fe3  1  0.121537  0.242466  0.369765  1
  Fe  Fe4  1  0.880000  0.120762  0.328138  1
  Fe  Fe5  1  0.241371  0.120762  0.328137  1
  Fe  Fe6  1  0.758294  0.879223  0.369765  1
  Fe  Fe7  1  0.121537  0.879223  0.369765  1
  Fe  Fe8  1  0.880000  0.759391  0.328138  1
  Fe  Fe9  1  0.103517  0.551835  0.310947  1
  Fe  Fe10  1  0.893500  0.446826  0.352210  1
  Fe  Fe11  1  0.553935  0.446827  0.352210  1
  Fe  Fe12  1  0.448926  0.897244  0.310947  1
  Fe  Fe13  1  0.667122  0.333637  0.308142  1
  Fe  Fe14  1  0.333791  0.666972  0.351863  1
  Fe  Fe15  1  0.447224  0.553536  0.393691  1
  Fe  Fe16  1  0.553691  0.106774  0.435160  1
  Fe  Fe17  1  0.121514  0.242421  0.452694  1
  Fe  Fe18  1  0.879406  0.121355  0.411227  1
  Fe  Fe19  1  0.242557  0.121355  0.411227  1
  Fe  Fe20  1  0.758339  0.879246  0.452694  1
  Fe  Fe21  1  0.121514  0.879246  0.452694  1
  Fe  Fe22  1  0.879406  0.758204  0.411227  1
  Fe  Fe23  1  0.106920  0.553536  0.393691  1
  Fe  Fe24  1  0.893986  0.447070  0.435160  1
  Fe  Fe25  1  0.553691  0.447070  0.435160  1
  Fe  Fe26  1  0.447225  0.893841  0.393691  1
  Fe  Fe27  1  0.667122  0.333637  0.393327  1
  Fe  Fe28  1  0.333790  0.666972  0.434804  1
  Fe  Fe29  1  0.447223  0.553538  0.476629  1
  Fe  Fe30  1  0.553698  0.106789  0.518093  1
  Fe  Fe31  1  0.121462  0.242316  0.535626  1
  Fe  Fe32  1  0.879406  0.121355  0.494162  1
  Fe  Fe33  1  0.242558  0.121355  0.494162  1
  Fe  Fe34  1  0.758444  0.879298  0.535626  1
  Fe  Fe35  1  0.121462  0.879298  0.535626  1
  Fe  Fe36  1  0.879406  0.758203  0.494162  1
  Fe  Fe37  1  0.106924  0.553538  0.476629  1
  Fe  Fe38  1  0.893972  0.447062  0.518092  1
  Fe  Fe39  1  0.553698  0.447062  0.518092  1
  Fe  Fe40  1  0.447223  0.893837  0.476629  1
  Fe  Fe41  1  0.667122  0.333637  0.476271  1
  Fe  Fe42  1  0.333790  0.666972  0.517740  1
  Fe  Fe43  1  0.447247  0.553514  0.559553  1
  Fe  Fe44  1  0.553086  0.105563  0.601245  1
  Fe  Fe45  1  0.124355  0.248102  0.618850  1
  Fe  Fe46  1  0.879209  0.121553  0.577118  1
  Fe  Fe47  1  0.242952  0.121552  0.577118  1
  Fe  Fe48  1  0.752658  0.876405  0.618850  1
  Fe  Fe49  1  0.124355  0.876405  0.618850  1
  Fe  Fe50  1  0.879209  0.757809  0.577118  1
  Fe  Fe51  1  0.106876  0.553514  0.559553  1
  Fe  Fe52  1  0.895197  0.447675  0.601244  1
  Fe  Fe53  1  0.553086  0.447675  0.601245  1
  Fe  Fe54  1  0.447247  0.893885  0.559553  1
  Fe  Fe55  1  0.667122  0.333637  0.559216  1
  Fe  Fe56  1  0.333790  0.666972  0.600683  1
  Fe  Fe57  1  0.451090  0.549672  0.644385  1
  Fe  Fe58  1  0.544234  0.087860  0.689609  1
  Fe  Fe59  1  0.127564  0.254521  0.703332  1
  Fe  Fe60  1  0.874504  0.126258  0.660620  1
  Fe  Fe61  1  0.252362  0.126257  0.660620  1
  Fe  Fe62  1  0.746241  0.873197  0.703332  1
  Fe  Fe63  1  0.127564  0.873197  0.703332  1
  Fe  Fe64  1  0.874503  0.748399  0.660620  1
  Fe  Fe65  1  0.099190  0.549672  0.644384  1
  Fe  Fe66  1  0.912900  0.456526  0.689609  1
  Fe  Fe67  1  0.544234  0.456526  0.689609  1
  Fe  Fe68  1  0.451090  0.901571  0.644385  1
  Fe  Fe69  1  0.667123  0.333638  0.642043  1
  Fe  Fe70  1  0.333790  0.666972  0.683991  1
  C  C71  1  0.817670  0.634733  0.291977  1
  C  C72  1  0.186892  0.813869  0.333895  1
  C  C73  1  0.627582  0.813868  0.333895  1
  C  C74  1  0.366027  0.183090  0.291977  1
  C  C75  1  0.817670  0.183090  0.291977  1
  C  C76  1  0.186892  0.373177  0.333895  1
  C  C77  1  0.814016  0.627424  0.375359  1
  C  C78  1  0.186919  0.813841  0.416828  1
  C  C79  1  0.627530  0.813841  0.416828  1
  C  C80  1  0.373336  0.186745  0.375359  1
  C  C81  1  0.814016  0.186744  0.375359  1
  C  C82  1  0.186920  0.373231  0.416828  1
  C  C83  1  0.813997  0.627385  0.458296  1
  C  C84  1  0.186917  0.813844  0.499765  1
  C  C85  1  0.627536  0.813844  0.499765  1
  C  C86  1  0.373375  0.186764  0.458296  1
  C  C87  1  0.813997  0.186764  0.458296  1
  C  C88  1  0.186917  0.373226  0.499765  1
  C  C89  1  0.813987  0.627366  0.541231  1
  C  C90  1  0.186896  0.813865  0.582681  1
  C  C91  1  0.627577  0.813865  0.582681  1
  C  C92  1  0.373394  0.186774  0.541231  1
  C  C93  1  0.813987  0.186774  0.541231  1
  C  C94  1  0.186896  0.373184  0.582681  1
  C  C95  1  0.814461  0.628314  0.624215  1
  C  C96  1  0.185245  0.815515  0.666736  1
  C  C97  1  0.630878  0.815515  0.666736  1
  C  C98  1  0.372446  0.186299  0.624215  1
  C  C99  1  0.814461  0.186300  0.624215  1
  C  C100  1  0.185246  0.369883  0.666736  1
