# generated using pymatgen
data_Fe7C3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.06904185
_cell_length_b   11.62600143
_cell_length_c   47.02522978
_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   'Fe84 C36'
_cell_volume   2224.60779619
_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  0.748506  0.345138  0.299530  1
  Fe  Fe2  1  0.254844  0.621714  0.323749  1
  Fe  Fe3  1  0.034468  0.340422  0.345125  1
  Fe  Fe4  1  0.537580  0.778870  0.300070  1
  Fe  Fe5  1  0.534468  0.459620  0.345125  1
  Fe  Fe6  1  0.035999  0.840629  0.325323  1
  Fe  Fe7  1  0.037580  0.021173  0.300070  1
  Fe  Fe8  1  0.535999  0.959414  0.325323  1
  Fe  Fe9  1  0.754844  0.178328  0.323749  1
  Fe  Fe10  1  0.248794  0.122892  0.347014  1
  Fe  Fe11  1  0.248506  0.454904  0.299530  1
  Fe  Fe12  1  0.748794  0.677150  0.347014  1
  Fe  Fe13  1  0.757081  0.565048  0.298756  1
  Fe  Fe14  1  0.257081  0.234995  0.298756  1
  Fe  Fe15  1  0.749827  0.846090  0.371153  1
  Fe  Fe16  1  0.245795  0.123806  0.395394  1
  Fe  Fe17  1  0.035371  0.839627  0.416725  1
  Fe  Fe18  1  0.535278  0.280204  0.370875  1
  Fe  Fe19  1  0.535371  0.960415  0.416725  1
  Fe  Fe20  1  0.036565  0.339938  0.396876  1
  Fe  Fe21  1  0.035278  0.519838  0.370875  1
  Fe  Fe22  1  0.536565  0.460104  0.396876  1
  Fe  Fe23  1  0.745795  0.676236  0.395394  1
  Fe  Fe24  1  0.249526  0.623566  0.418219  1
  Fe  Fe25  1  0.249827  0.953952  0.371153  1
  Fe  Fe26  1  0.749526  0.176476  0.418219  1
  Fe  Fe27  1  0.750422  0.067467  0.371291  1
  Fe  Fe28  1  0.250422  0.732576  0.371291  1
  Fe  Fe29  1  0.747441  0.347098  0.442405  1
  Fe  Fe30  1  0.249461  0.623296  0.466692  1
  Fe  Fe31  1  0.036446  0.339798  0.488063  1
  Fe  Fe32  1  0.535709  0.779588  0.442473  1
  Fe  Fe33  1  0.536446  0.460244  0.488063  1
  Fe  Fe34  1  0.035905  0.839699  0.468220  1
  Fe  Fe35  1  0.035709  0.020455  0.442473  1
  Fe  Fe36  1  0.535905  0.960343  0.468220  1
  Fe  Fe37  1  0.749461  0.176746  0.466692  1
  Fe  Fe38  1  0.248470  0.123264  0.489609  1
  Fe  Fe39  1  0.247441  0.452945  0.442405  1
  Fe  Fe40  1  0.748470  0.676779  0.489609  1
  Fe  Fe41  1  0.752220  0.566202  0.442419  1
  Fe  Fe42  1  0.252220  0.233841  0.442419  1
  Fe  Fe43  1  0.748182  0.846689  0.513891  1
  Fe  Fe44  1  0.248557  0.123246  0.538099  1
  Fe  Fe45  1  0.035839  0.839804  0.559541  1
  Fe  Fe46  1  0.535875  0.279685  0.513885  1
  Fe  Fe47  1  0.535839  0.960239  0.559541  1
  Fe  Fe48  1  0.035499  0.339888  0.539650  1
  Fe  Fe49  1  0.035875  0.520357  0.513885  1
  Fe  Fe50  1  0.535499  0.460155  0.539650  1
  Fe  Fe51  1  0.748557  0.676797  0.538099  1
  Fe  Fe52  1  0.250181  0.622838  0.561038  1
  Fe  Fe53  1  0.248182  0.953353  0.513891  1
  Fe  Fe54  1  0.750181  0.177205  0.561038  1
  Fe  Fe55  1  0.752175  0.066607  0.513869  1
  Fe  Fe56  1  0.252175  0.733436  0.513869  1
  Fe  Fe57  1  0.747500  0.346676  0.585299  1
  Fe  Fe58  1  0.246295  0.623010  0.609741  1
  Fe  Fe59  1  0.035557  0.339337  0.631260  1
  Fe  Fe60  1  0.536151  0.779058  0.585262  1
  Fe  Fe61  1  0.535557  0.460706  0.631260  1
  Fe  Fe62  1  0.033231  0.839530  0.610973  1
  Fe  Fe63  1  0.036151  0.020984  0.585262  1
  Fe  Fe64  1  0.533231  0.960513  0.610973  1
  Fe  Fe65  1  0.746295  0.177033  0.609741  1
  Fe  Fe66  1  0.244170  0.123766  0.632135  1
  Fe  Fe67  1  0.247500  0.453367  0.585299  1
  Fe  Fe68  1  0.744170  0.676277  0.632135  1
  Fe  Fe69  1  0.751975  0.566172  0.585393  1
  Fe  Fe70  1  0.251975  0.233870  0.585393  1
  Fe  Fe71  1  0.742871  0.846755  0.656805  1
  Fe  Fe72  1  0.253551  0.123032  0.681157  1
  Fe  Fe73  1  0.030428  0.844027  0.701867  1
  Fe  Fe74  1  0.537416  0.278887  0.656677  1
  Fe  Fe75  1  0.530428  0.956015  0.701867  1
  Fe  Fe76  1  0.035336  0.339802  0.682794  1
  Fe  Fe77  1  0.037416  0.521156  0.656677  1
  Fe  Fe78  1  0.535336  0.460240  0.682794  1
  Fe  Fe79  1  0.753551  0.677010  0.681157  1
  Fe  Fe80  1  0.267353  0.616918  0.705480  1
  Fe  Fe81  1  0.242871  0.953287  0.656805  1
  Fe  Fe82  1  0.767353  0.183125  0.705480  1
  Fe  Fe83  1  0.741634  0.068584  0.655840  1
  Fe  Fe84  1  0.241634  0.731458  0.655840  1
  C  C85  1  0.966575  0.993351  0.339905  1
  C  C86  1  0.470087  0.087556  0.300078  1
  C  C87  1  0.466575  0.806691  0.339905  1
  C  C88  1  0.966425  0.493795  0.330902  1
  C  C89  1  0.970087  0.712486  0.300078  1
  C  C90  1  0.466425  0.306248  0.330902  1
  C  C91  1  0.969790  0.493628  0.410881  1
  C  C92  1  0.468302  0.585876  0.370965  1
  C  C93  1  0.469790  0.306415  0.410881  1
  C  C94  1  0.968404  0.993070  0.402546  1
  C  C95  1  0.968302  0.214167  0.370965  1
  C  C96  1  0.468404  0.806973  0.402546  1
  C  C97  1  0.968832  0.993142  0.482409  1
  C  C98  1  0.468320  0.086815  0.442484  1
  C  C99  1  0.468832  0.806900  0.482409  1
  C  C100  1  0.969442  0.493320  0.473931  1
  C  C101  1  0.968320  0.713227  0.442484  1
  C  C102  1  0.469442  0.306722  0.473931  1
  C  C103  1  0.968247  0.493336  0.553825  1
  C  C104  1  0.468760  0.586492  0.513860  1
  C  C105  1  0.468247  0.306706  0.553825  1
  C  C106  1  0.968643  0.993246  0.545352  1
  C  C107  1  0.968760  0.213550  0.513860  1
  C  C108  1  0.468643  0.806797  0.545352  1
  C  C109  1  0.966432  0.992998  0.625131  1
  C  C110  1  0.469154  0.087037  0.585197  1
  C  C111  1  0.466432  0.807045  0.625131  1
  C  C112  1  0.968142  0.492419  0.616838  1
  C  C113  1  0.969154  0.713005  0.585197  1
  C  C114  1  0.468142  0.307624  0.616838  1
  C  C115  1  0.969341  0.493775  0.696586  1
  C  C116  1  0.470630  0.586978  0.657113  1
  C  C117  1  0.469341  0.306267  0.696586  1
  C  C118  1  0.957339  0.996838  0.687563  1
  C  C119  1  0.970630  0.213065  0.657113  1
  C  C120  1  0.457339  0.803205  0.687563  1
