# generated using pymatgen
data_Fe7C3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.72982644
_cell_length_b   6.48738030
_cell_length_c   53.11309302
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe7C3
_chemical_formula_sum   'Fe56 C24'
_cell_volume   1629.73185924
_cell_formula_units_Z   8
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  0.380136  0.946334  0.339775  1
  Fe  Fe2  1  0.879408  0.556320  0.360811  1
  Fe  Fe3  1  0.618871  0.442450  0.460476  1
  Fe  Fe4  1  0.118001  0.058382  0.440086  1
  Fe  Fe5  1  0.762011  0.250319  0.340412  1
  Fe  Fe6  1  0.265494  0.250319  0.360671  1
  Fe  Fe7  1  0.230307  0.750319  0.460678  1
  Fe  Fe8  1  0.729370  0.750319  0.439943  1
  Fe  Fe9  1  0.750178  0.250319  0.385547  1
  Fe  Fe10  1  0.236215  0.250319  0.312828  1
  Fe  Fe11  1  0.243341  0.750319  0.415292  1
  Fe  Fe12  1  0.744249  0.750319  0.485379  1
  Fe  Fe13  1  0.587925  0.250319  0.425527  1
  Fe  Fe14  1  0.088439  0.250319  0.475019  1
  Fe  Fe15  1  0.408089  0.750319  0.375019  1
  Fe  Fe16  1  0.927276  0.750319  0.325221  1
  Fe  Fe17  1  0.879408  0.944318  0.360811  1
  Fe  Fe18  1  0.380136  0.554304  0.339775  1
  Fe  Fe19  1  0.118001  0.442256  0.440086  1
  Fe  Fe20  1  0.618871  0.058188  0.460476  1
  Fe  Fe21  1  0.244240  0.072789  0.398801  1
  Fe  Fe22  1  0.747506  0.431934  0.301685  1
  Fe  Fe23  1  0.752054  0.572863  0.401857  1
  Fe  Fe24  1  0.253088  0.927887  0.498731  1
  Fe  Fe25  1  0.752054  0.927775  0.401857  1
  Fe  Fe26  1  0.253088  0.572751  0.498731  1
  Fe  Fe27  1  0.244240  0.427850  0.398801  1
  Fe  Fe28  1  0.747506  0.068705  0.301685  1
  Fe  Fe29  1  0.378624  0.942450  0.540022  1
  Fe  Fe30  1  0.879495  0.558382  0.560413  1
  Fe  Fe31  1  0.617360  0.446334  0.660724  1
  Fe  Fe32  1  0.118088  0.056320  0.639688  1
  Fe  Fe33  1  0.767189  0.250319  0.539821  1
  Fe  Fe34  1  0.268126  0.250319  0.560555  1
  Fe  Fe35  1  0.235485  0.750319  0.660087  1
  Fe  Fe36  1  0.732002  0.750319  0.639827  1
  Fe  Fe37  1  0.754154  0.250319  0.585207  1
  Fe  Fe38  1  0.253247  0.250319  0.515120  1
  Fe  Fe39  1  0.247317  0.750319  0.614952  1
  Fe  Fe40  1  0.761281  0.750319  0.687671  1
  Fe  Fe41  1  0.589407  0.250319  0.625480  1
  Fe  Fe42  1  0.070219  0.250319  0.675278  1
  Fe  Fe43  1  0.409571  0.750319  0.574972  1
  Fe  Fe44  1  0.909057  0.750319  0.525480  1
  Fe  Fe45  1  0.879495  0.942256  0.560413  1
  Fe  Fe46  1  0.378624  0.558188  0.540022  1
  Fe  Fe47  1  0.118088  0.444318  0.639688  1
  Fe  Fe48  1  0.617360  0.054304  0.660724  1
  Fe  Fe49  1  0.245441  0.072863  0.598642  1
  Fe  Fe50  1  0.744408  0.427887  0.501768  1
  Fe  Fe51  1  0.753256  0.572789  0.601698  1
  Fe  Fe52  1  0.249989  0.931934  0.698813  1
  Fe  Fe53  1  0.753256  0.927850  0.601698  1
  Fe  Fe54  1  0.249989  0.568705  0.698813  1
  Fe  Fe55  1  0.245441  0.427775  0.598642  1
  Fe  Fe56  1  0.744408  0.072751  0.501768  1
  C  C57  1  0.533521  0.750319  0.316334  1
  C  C58  1  0.018389  0.750319  0.385179  1
  C  C59  1  0.478719  0.250319  0.485027  1
  C  C60  1  0.978132  0.250319  0.415496  1
  C  C61  1  0.014561  0.038643  0.328698  1
  C  C62  1  0.514313  0.465204  0.372171  1
  C  C63  1  0.981582  0.535447  0.472217  1
  C  C64  1  0.480862  0.965287  0.428390  1
  C  C65  1  0.981582  0.965191  0.472217  1
  C  C66  1  0.480862  0.535351  0.428390  1
  C  C67  1  0.014561  0.461996  0.328698  1
  C  C68  1  0.514313  0.035434  0.372171  1
  C  C69  1  0.518777  0.750319  0.515472  1
  C  C70  1  0.019364  0.750319  0.585003  1
  C  C71  1  0.463975  0.250319  0.684165  1
  C  C72  1  0.979107  0.250319  0.615320  1
  C  C73  1  0.015913  0.035447  0.528282  1
  C  C74  1  0.516634  0.465287  0.572109  1
  C  C75  1  0.982934  0.538643  0.671801  1
  C  C76  1  0.483182  0.965204  0.628328  1
  C  C77  1  0.982934  0.961996  0.671801  1
  C  C78  1  0.483182  0.535434  0.628328  1
  C  C79  1  0.015913  0.465191  0.528282  1
  C  C80  1  0.516634  0.035351  0.572109  1
