# generated using pymatgen
data_FeP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   19.55993480
_cell_length_b   11.24244751
_cell_length_c   53.43126039
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   65.44025056
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeP2
_chemical_formula_sum   'Fe90 P180'
_cell_volume   10686.608963
_cell_formula_units_Z   90
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  0.401559  0.812355  0.306209  1
  Fe  Fe2  1  0.068226  0.812355  0.306209  1
  Fe  Fe3  1  0.366951  0.616727  0.332574  1
  Fe  Fe4  1  0.734893  0.812355  0.306209  1
  Fe  Fe5  1  0.033617  0.616727  0.332574  1
  Fe  Fe6  1  0.431122  0.017661  0.280732  1
  Fe  Fe7  1  0.700284  0.616727  0.332574  1
  Fe  Fe8  1  0.097789  0.017661  0.280732  1
  Fe  Fe9  1  0.764456  0.017661  0.280732  1
  Fe  Fe10  1  0.565437  0.424269  0.295411  1
  Fe  Fe11  1  0.232103  0.424269  0.295411  1
  Fe  Fe12  1  0.548516  0.206431  0.319703  1
  Fe  Fe13  1  0.898770  0.424269  0.295411  1
  Fe  Fe14  1  0.215183  0.206431  0.319703  1
  Fe  Fe15  1  0.524820  0.997069  0.349059  1
  Fe  Fe16  1  0.881850  0.206431  0.319703  1
  Fe  Fe17  1  0.191487  0.997069  0.349059  1
  Fe  Fe18  1  0.858153  0.997069  0.349059  1
  Fe  Fe19  1  0.316446  0.145645  0.395348  1
  Fe  Fe20  1  0.983112  0.145645  0.395348  1
  Fe  Fe21  1  0.289248  0.939894  0.425270  1
  Fe  Fe22  1  0.649779  0.145645  0.395348  1
  Fe  Fe23  1  0.955914  0.939894  0.425270  1
  Fe  Fe24  1  0.340287  0.356573  0.366032  1
  Fe  Fe25  1  0.622581  0.939894  0.425270  1
  Fe  Fe26  1  0.006953  0.356573  0.366032  1
  Fe  Fe27  1  0.673620  0.356573  0.366032  1
  Fe  Fe28  1  0.495893  0.745478  0.382950  1
  Fe  Fe29  1  0.162560  0.745478  0.382950  1
  Fe  Fe30  1  0.467876  0.533795  0.410188  1
  Fe  Fe31  1  0.829226  0.745478  0.382950  1
  Fe  Fe32  1  0.134543  0.533795  0.410188  1
  Fe  Fe33  1  0.442334  0.325232  0.439393  1
  Fe  Fe34  1  0.801210  0.533795  0.410188  1
  Fe  Fe35  1  0.109001  0.325232  0.439393  1
  Fe  Fe36  1  0.775667  0.325232  0.439393  1
  Fe  Fe37  1  0.235192  0.473955  0.486775  1
  Fe  Fe38  1  0.901858  0.473955  0.486775  1
  Fe  Fe39  1  0.205840  0.258411  0.517892  1
  Fe  Fe40  1  0.568525  0.473955  0.486775  1
  Fe  Fe41  1  0.872507  0.258411  0.517892  1
  Fe  Fe42  1  0.260184  0.685110  0.458243  1
  Fe  Fe43  1  0.539173  0.258411  0.517892  1
  Fe  Fe44  1  0.926851  0.685110  0.458243  1
  Fe  Fe45  1  0.593517  0.685110  0.458243  1
  Fe  Fe46  1  0.413577  0.074598  0.473939  1
  Fe  Fe47  1  0.080244  0.074598  0.473939  1
  Fe  Fe48  1  0.387262  0.866054  0.502476  1
  Fe  Fe49  1  0.746911  0.074598  0.473939  1
  Fe  Fe50  1  0.053928  0.866054  0.502476  1
  Fe  Fe51  1  0.360785  0.657514  0.531079  1
  Fe  Fe52  1  0.720595  0.866054  0.502476  1
  Fe  Fe53  1  0.027452  0.657514  0.531079  1
  Fe  Fe54  1  0.694119  0.657514  0.531079  1
  Fe  Fe55  1  0.152330  0.791478  0.579898  1
  Fe  Fe56  1  0.818996  0.791478  0.579898  1
  Fe  Fe57  1  0.124688  0.587535  0.609532  1
  Fe  Fe58  1  0.485663  0.791478  0.579898  1
  Fe  Fe59  1  0.791355  0.587535  0.609532  1
  Fe  Fe60  1  0.181097  0.046850  0.546507  1
  Fe  Fe61  1  0.458022  0.587535  0.609532  1
  Fe  Fe62  1  0.847764  0.046850  0.546507  1
  Fe  Fe63  1  0.514431  0.046850  0.546507  1
  Fe  Fe64  1  0.332236  0.406773  0.565180  1
  Fe  Fe65  1  0.998903  0.406773  0.565180  1
  Fe  Fe66  1  0.306377  0.197461  0.594177  1
  Fe  Fe67  1  0.665569  0.406773  0.565180  1
  Fe  Fe68  1  0.973044  0.197461  0.594177  1
  Fe  Fe69  1  0.278983  0.984981  0.620886  1
  Fe  Fe70  1  0.639711  0.197461  0.594177  1
  Fe  Fe71  1  0.945649  0.984981  0.620886  1
  Fe  Fe72  1  0.612316  0.984981  0.620886  1
  Fe  Fe73  1  0.072353  0.118520  0.670593  1
  Fe  Fe74  1  0.739020  0.118520  0.670593  1
  Fe  Fe75  1  0.039113  0.934515  0.696495  1
  Fe  Fe76  1  0.405687  0.118520  0.670593  1
  Fe  Fe77  1  0.705780  0.934515  0.696495  1
  Fe  Fe78  1  0.100313  0.376169  0.638256  1
  Fe  Fe79  1  0.372446  0.934515  0.696495  1
  Fe  Fe80  1  0.766980  0.376169  0.638256  1
  Fe  Fe81  1  0.433647  0.376169  0.638256  1
  Fe  Fe82  1  0.250896  0.738059  0.658402  1
  Fe  Fe83  1  0.917563  0.738059  0.658402  1
  Fe  Fe84  1  0.225314  0.523007  0.685695  1
  Fe  Fe85  1  0.584229  0.738059  0.658402  1
  Fe  Fe86  1  0.891981  0.523007  0.685695  1
  Fe  Fe87  1  0.207763  0.300662  0.708482  1
  Fe  Fe88  1  0.558647  0.523007  0.685695  1
  Fe  Fe89  1  0.874430  0.300662  0.708482  1
  Fe  Fe90  1  0.541097  0.300662  0.708482  1
  P  P91  1  0.604037  0.762991  0.359429  1
  P  P92  1  0.270704  0.762991  0.359429  1
  P  P93  1  0.659536  0.210518  0.295069  1
  P  P94  1  0.937370  0.762991  0.359429  1
  P  P95  1  0.326202  0.210518  0.295069  1
  P  P96  1  0.635527  0.988192  0.328734  1
  P  P97  1  0.992869  0.210518  0.295069  1
  P  P98  1  0.302193  0.988192  0.328734  1
  P  P99  1  0.968860  0.988192  0.328734  1
  P  P100  1  0.500672  0.648508  0.280332  1
  P  P101  1  0.167338  0.648508  0.280332  1
  P  P102  1  0.457061  0.429003  0.308789  1
  P  P103  1  0.834005  0.648508  0.280332  1
  P  P104  1  0.123728  0.429003  0.308789  1
  P  P105  1  0.437710  0.205963  0.340689  1
  P  P106  1  0.790395  0.429003  0.308789  1
  P  P107  1  0.104377  0.205963  0.340689  1
  P  P108  1  0.771043  0.205963  0.340689  1
  P  P109  1  0.619343  0.496247  0.327562  1
  P  P110  1  0.286010  0.496247  0.327562  1
  P  P111  1  0.589802  0.269714  0.357846  1
  P  P112  1  0.952676  0.496247  0.327562  1
  P  P113  1  0.256469  0.269714  0.357846  1
  P  P114  1  0.649895  0.730542  0.293619  1
  P  P115  1  0.923135  0.269714  0.357846  1
  P  P116  1  0.316562  0.730542  0.293619  1
  P  P117  1  0.983228  0.730542  0.293619  1
  P  P118  1  0.453014  0.695880  0.343357  1
  P  P119  1  0.119681  0.695880  0.343357  1
  P  P120  1  0.515456  0.127585  0.280802  1
  P  P121  1  0.786347  0.695880  0.343357  1
  P  P122  1  0.182122  0.127585  0.280802  1
  P  P123  1  0.486518  0.911273  0.314668  1
  P  P124  1  0.848789  0.127585  0.280802  1
  P  P125  1  0.153185  0.911273  0.314668  1
  P  P126  1  0.819852  0.911273  0.314668  1
  P  P127  1  0.520875  0.092421  0.450256  1
  P  P128  1  0.187542  0.092421  0.450256  1
  P  P129  1  0.578028  0.532752  0.389285  1
  P  P130  1  0.854209  0.092421  0.450256  1
  P  P131  1  0.244695  0.532752  0.389285  1
  P  P132  1  0.551645  0.314116  0.419680  1
  P  P133  1  0.911361  0.532752  0.389285  1
  P  P134  1  0.218312  0.314116  0.419680  1
  P  P135  1  0.884979  0.314116  0.419680  1
  P  P136  1  0.418119  0.977346  0.372483  1
  P  P137  1  0.084785  0.977346  0.372483  1
  P  P138  1  0.385874  0.759510  0.402990  1
  P  P139  1  0.751452  0.977346  0.372483  1
  P  P140  1  0.052540  0.759510  0.402990  1
  P  P141  1  0.358170  0.537370  0.432418  1
  P  P142  1  0.719207  0.759510  0.402990  1
  P  P143  1  0.024837  0.537370  0.432418  1
  P  P144  1  0.691504  0.537370  0.432418  1
  P  P145  1  0.541187  0.819418  0.419466  1
  P  P146  1  0.207854  0.819418  0.419466  1
  P  P147  1  0.509720  0.597105  0.449270  1
  P  P148  1  0.874521  0.819418  0.419466  1
  P  P149  1  0.176387  0.597105  0.449270  1
  P  P150  1  0.566200  0.045559  0.387948  1
  P  P151  1  0.843054  0.597105  0.449270  1
  P  P152  1  0.232867  0.045559  0.387948  1
  P  P153  1  0.899533  0.045559  0.387948  1
  P  P154  1  0.372523  0.028937  0.434070  1
  P  P155  1  0.039190  0.028937  0.434070  1
  P  P156  1  0.421648  0.475279  0.371444  1
  P  P157  1  0.705856  0.028937  0.434070  1
  P  P158  1  0.088315  0.475279  0.371444  1
  P  P159  1  0.399541  0.249763  0.403339  1
  P  P160  1  0.754981  0.475279  0.371444  1
  P  P161  1  0.066208  0.249763  0.403339  1
  P  P162  1  0.732875  0.249763  0.403339  1
  P  P163  1  0.439167  0.423937  0.541655  1
  P  P164  1  0.105834  0.423937  0.541655  1
  P  P165  1  0.497021  0.862016  0.480814  1
  P  P166  1  0.772501  0.423937  0.541655  1
  P  P167  1  0.163688  0.862016  0.480814  1
  P  P168  1  0.470239  0.642251  0.511084  1
  P  P169  1  0.830354  0.862016  0.480814  1
  P  P170  1  0.136905  0.642251  0.511084  1
  P  P171  1  0.803572  0.642251  0.511084  1
  P  P172  1  0.335445  0.308337  0.463130  1
  P  P173  1  0.002111  0.308337  0.463130  1
  P  P174  1  0.304229  0.089912  0.493719  1
  P  P175  1  0.668778  0.308337  0.463130  1
  P  P176  1  0.970896  0.089912  0.493719  1
  P  P177  1  0.277433  0.869853  0.523955  1
  P  P178  1  0.637563  0.089912  0.493719  1
  P  P179  1  0.944099  0.869853  0.523955  1
  P  P180  1  0.610766  0.869853  0.523955  1
  P  P181  1  0.455888  0.153266  0.509698  1
  P  P182  1  0.122555  0.153266  0.509698  1
  P  P183  1  0.433608  0.925959  0.541061  1
  P  P184  1  0.789222  0.153266  0.509698  1
  P  P185  1  0.100275  0.925959  0.541061  1
  P  P186  1  0.485312  0.372943  0.479320  1
  P  P187  1  0.766942  0.925959  0.541061  1
  P  P188  1  0.151979  0.372943  0.479320  1
  P  P189  1  0.818646  0.372943  0.479320  1
  P  P190  1  0.288968  0.359589  0.525386  1
  P  P191  1  0.955635  0.359589  0.525386  1
  P  P192  1  0.340895  0.805765  0.463904  1
  P  P193  1  0.622302  0.359589  0.525386  1
  P  P194  1  0.007562  0.805765  0.463904  1
  P  P195  1  0.318533  0.578855  0.495135  1
  P  P196  1  0.674228  0.805765  0.463904  1
  P  P197  1  0.985200  0.578855  0.495135  1
  P  P198  1  0.651867  0.578855  0.495135  1
  P  P199  1  0.356737  0.754168  0.632975  1
  P  P200  1  0.023403  0.754168  0.632975  1
  P  P201  1  0.416094  0.194694  0.572117  1
  P  P202  1  0.690070  0.754168  0.632975  1
  P  P203  1  0.082761  0.194694  0.572117  1
  P  P204  1  0.389845  0.972175  0.602131  1
  P  P205  1  0.749427  0.194694  0.572117  1
  P  P206  1  0.056512  0.972175  0.602131  1
  P  P207  1  0.723179  0.972175  0.602131  1
  P  P208  1  0.253449  0.639851  0.554683  1
  P  P209  1  0.920116  0.639851  0.554683  1
  P  P210  1  0.222838  0.418492  0.585170  1
  P  P211  1  0.586783  0.639851  0.554683  1
  P  P212  1  0.889504  0.418492  0.585170  1
  P  P213  1  0.195805  0.198968  0.615167  1
  P  P214  1  0.556171  0.418492  0.585170  1
  P  P215  1  0.862471  0.198968  0.615167  1
  P  P216  1  0.529138  0.198968  0.615167  1
  P  P217  1  0.374626  0.482983  0.601269  1
  P  P218  1  0.041292  0.482983  0.601269  1
  P  P219  1  0.352089  0.255817  0.632742  1
  P  P220  1  0.707959  0.482983  0.601269  1
  P  P221  1  0.018755  0.255817  0.632742  1
  P  P222  1  0.402099  0.703526  0.570925  1
  P  P223  1  0.685422  0.255817  0.632742  1
  P  P224  1  0.068765  0.703526  0.570925  1
  P  P225  1  0.735432  0.703526  0.570925  1
  P  P226  1  0.208589  0.687962  0.617717  1
  P  P227  1  0.875256  0.687962  0.617717  1
  P  P228  1  0.264885  0.134935  0.555315  1
  P  P229  1  0.541923  0.687962  0.617717  1
  P  P230  1  0.931551  0.134935  0.555315  1
  P  P231  1  0.233606  0.912193  0.585172  1
  P  P232  1  0.598218  0.134935  0.555315  1
  P  P233  1  0.900273  0.912193  0.585172  1
  P  P234  1  0.566939  0.912193  0.585172  1
  P  P235  1  0.275473  0.082807  0.724150  1
  P  P236  1  0.942140  0.082807  0.724150  1
  P  P237  1  0.335736  0.524241  0.663748  1
  P  P238  1  0.608807  0.082807  0.724150  1
  P  P239  1  0.002402  0.524241  0.663748  1
  P  P240  1  0.315969  0.301618  0.694946  1
  P  P241  1  0.669069  0.524241  0.663748  1
  P  P242  1  0.982635  0.301618  0.694946  1
  P  P243  1  0.649302  0.301618  0.694946  1
  P  P244  1  0.173598  0.964861  0.646158  1
  P  P245  1  0.840264  0.964861  0.646158  1
  P  P246  1  0.139386  0.743300  0.677713  1
  P  P247  1  0.506931  0.964861  0.646158  1
  P  P248  1  0.806052  0.743300  0.677713  1
  P  P249  1  0.117178  0.506642  0.709378  1
  P  P250  1  0.472719  0.743300  0.677713  1
  P  P251  1  0.783845  0.506642  0.709378  1
  P  P252  1  0.450511  0.506642  0.709378  1
  P  P253  1  0.297772  0.804954  0.694269  1
  P  P254  1  0.964438  0.804954  0.694269  1
  P  P255  1  0.259044  0.587034  0.723934  1
  P  P256  1  0.631105  0.804954  0.694269  1
  P  P257  1  0.925710  0.587034  0.723934  1
  P  P258  1  0.320362  0.032680  0.660738  1
  P  P259  1  0.592377  0.587034  0.723934  1
  P  P260  1  0.987029  0.032680  0.660738  1
  P  P261  1  0.653696  0.032680  0.660738  1
  P  P262  1  0.126428  0.009672  0.709697  1
  P  P263  1  0.793095  0.009672  0.709697  1
  P  P264  1  0.183723  0.464762  0.646941  1
  P  P265  1  0.459762  0.009672  0.709697  1
  P  P266  1  0.850390  0.464762  0.646941  1
  P  P267  1  0.155035  0.235137  0.676068  1
  P  P268  1  0.517056  0.464762  0.646941  1
  P  P269  1  0.821702  0.235137  0.676068  1
  P  P270  1  0.488368  0.235137  0.676068  1
