# generated using pymatgen
data_Fe7C3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.72121727
_cell_length_b   4.06721098
_cell_length_c   52.37355870
_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   1431.71547912
_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  0.083348  0.248420  0.327006  1
  Fe  Fe2  1  0.580306  0.752630  0.339068  1
  Fe  Fe3  1  0.929272  0.965019  0.291421  1
  Fe  Fe4  1  0.429302  0.466996  0.375124  1
  Fe  Fe5  1  0.749356  0.465786  0.303794  1
  Fe  Fe6  1  0.249356  0.966815  0.361867  1
  Fe  Fe7  1  0.569440  0.965019  0.291421  1
  Fe  Fe8  1  0.069410  0.466996  0.375124  1
  Fe  Fe9  1  0.249356  0.295805  0.283799  1
  Fe  Fe10  1  0.749356  0.756199  0.376840  1
  Fe  Fe11  1  0.918407  0.752630  0.339068  1
  Fe  Fe12  1  0.415364  0.248420  0.327006  1
  Fe  Fe13  1  0.749356  0.255306  0.351982  1
  Fe  Fe14  1  0.249356  0.753279  0.314486  1
  Fe  Fe15  1  0.579498  0.253502  0.438060  1
  Fe  Fe16  1  0.079549  0.753251  0.449926  1
  Fe  Fe17  1  0.429623  0.966352  0.401878  1
  Fe  Fe18  1  0.929644  0.466237  0.486109  1
  Fe  Fe19  1  0.249356  0.466346  0.415216  1
  Fe  Fe20  1  0.749356  0.966416  0.472783  1
  Fe  Fe21  1  0.069089  0.966352  0.401878  1
  Fe  Fe22  1  0.569068  0.466237  0.486109  1
  Fe  Fe23  1  0.749356  0.254368  0.400358  1
  Fe  Fe24  1  0.249356  0.754484  0.487677  1
  Fe  Fe25  1  0.419163  0.753251  0.449926  1
  Fe  Fe26  1  0.919214  0.253502  0.438060  1
  Fe  Fe27  1  0.249356  0.249932  0.462564  1
  Fe  Fe28  1  0.749356  0.749759  0.425418  1
  Fe  Fe29  1  0.079549  0.253251  0.549037  1
  Fe  Fe30  1  0.579498  0.753502  0.560902  1
  Fe  Fe31  1  0.929644  0.966237  0.512854  1
  Fe  Fe32  1  0.429623  0.466352  0.597085  1
  Fe  Fe33  1  0.749356  0.466416  0.526179  1
  Fe  Fe34  1  0.249356  0.966346  0.583746  1
  Fe  Fe35  1  0.569068  0.966237  0.512854  1
  Fe  Fe36  1  0.069089  0.466352  0.597085  1
  Fe  Fe37  1  0.249356  0.254484  0.511286  1
  Fe  Fe38  1  0.749356  0.754368  0.598605  1
  Fe  Fe39  1  0.919214  0.753502  0.560902  1
  Fe  Fe40  1  0.419163  0.253251  0.549037  1
  Fe  Fe41  1  0.749356  0.249759  0.573545  1
  Fe  Fe42  1  0.249356  0.749932  0.536399  1
  Fe  Fe43  1  0.580306  0.252630  0.659895  1
  Fe  Fe44  1  0.083348  0.748420  0.671957  1
  Fe  Fe45  1  0.429302  0.966996  0.623839  1
  Fe  Fe46  1  0.929272  0.465019  0.707541  1
  Fe  Fe47  1  0.249356  0.466815  0.637096  1
  Fe  Fe48  1  0.749356  0.965786  0.695169  1
  Fe  Fe49  1  0.069410  0.966996  0.623839  1
  Fe  Fe50  1  0.569440  0.465019  0.707541  1
  Fe  Fe51  1  0.749356  0.256199  0.622123  1
  Fe  Fe52  1  0.249356  0.795805  0.715164  1
  Fe  Fe53  1  0.415364  0.748420  0.671957  1
  Fe  Fe54  1  0.918407  0.252630  0.659895  1
  Fe  Fe55  1  0.249356  0.253279  0.684477  1
  Fe  Fe56  1  0.749356  0.755306  0.646981  1
  C  C57  1  0.969872  0.034101  0.367822  1
  C  C58  1  0.469058  0.532075  0.298471  1
  C  C59  1  0.249356  0.534599  0.347035  1
  C  C60  1  0.749356  0.037921  0.319403  1
  C  C61  1  0.528840  0.034101  0.367822  1
  C  C62  1  0.029654  0.532075  0.298471  1
  C  C63  1  0.469839  0.033205  0.478790  1
  C  C64  1  0.969899  0.533263  0.409185  1
  C  C65  1  0.749356  0.533594  0.458057  1
  C  C66  1  0.249356  0.033491  0.429936  1
  C  C67  1  0.028873  0.033205  0.478790  1
  C  C68  1  0.528813  0.533263  0.409185  1
  C  C69  1  0.969899  0.033263  0.589778  1
  C  C70  1  0.469839  0.533205  0.520173  1
  C  C71  1  0.249356  0.533491  0.569027  1
  C  C72  1  0.749356  0.033594  0.540906  1
  C  C73  1  0.528813  0.033263  0.589778  1
  C  C74  1  0.028873  0.533205  0.520173  1
  C  C75  1  0.469058  0.032075  0.700492  1
  C  C76  1  0.969872  0.534101  0.631141  1
  C  C77  1  0.749356  0.537921  0.679560  1
  C  C78  1  0.249356  0.034599  0.651927  1
  C  C79  1  0.029654  0.032075  0.700492  1
  C  C80  1  0.528840  0.534101  0.631141  1
