# generated using pymatgen
data_FeP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   19.55145879
_cell_length_b   15.26168942
_cell_length_c   45.58513799
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   72.13893286
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeP2
_chemical_formula_sum   'Fe108 P216'
_cell_volume   12946.4928961
_cell_formula_units_Z   108
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  0.354445  0.832758  0.305951  1
  Fe  Fe2  1  0.021112  0.832758  0.305951  1
  Fe  Fe3  1  0.370493  0.401008  0.286187  1
  Fe  Fe4  1  0.687779  0.832758  0.305951  1
  Fe  Fe5  1  0.037160  0.401008  0.286187  1
  Fe  Fe6  1  0.703827  0.401008  0.286187  1
  Fe  Fe7  1  0.521331  0.121175  0.296488  1
  Fe  Fe8  1  0.187997  0.121175  0.296488  1
  Fe  Fe9  1  0.499002  0.557546  0.317186  1
  Fe  Fe10  1  0.854664  0.121175  0.296488  1
  Fe  Fe11  1  0.165669  0.557546  0.317186  1
  Fe  Fe12  1  0.832335  0.557546  0.317186  1
  Fe  Fe13  1  0.296507  0.739229  0.347852  1
  Fe  Fe14  1  0.963174  0.739229  0.347852  1
  Fe  Fe15  1  0.317058  0.297631  0.328754  1
  Fe  Fe16  1  0.629841  0.739229  0.347852  1
  Fe  Fe17  1  0.983724  0.297631  0.328754  1
  Fe  Fe18  1  0.650391  0.297631  0.328754  1
  Fe  Fe19  1  0.472629  0.015588  0.338157  1
  Fe  Fe20  1  0.139296  0.015588  0.338157  1
  Fe  Fe21  1  0.446907  0.455875  0.366045  1
  Fe  Fe22  1  0.805963  0.015588  0.338157  1
  Fe  Fe23  1  0.113574  0.455875  0.366045  1
  Fe  Fe24  1  0.780241  0.455875  0.366045  1
  Fe  Fe25  1  0.234479  0.622094  0.404243  1
  Fe  Fe26  1  0.901145  0.622094  0.404243  1
  Fe  Fe27  1  0.264962  0.187530  0.371709  1
  Fe  Fe28  1  0.567812  0.622094  0.404243  1
  Fe  Fe29  1  0.931629  0.187530  0.371709  1
  Fe  Fe30  1  0.598295  0.187530  0.371709  1
  Fe  Fe31  1  0.421881  0.912279  0.385104  1
  Fe  Fe32  1  0.088547  0.912279  0.385104  1
  Fe  Fe33  1  0.391522  0.346250  0.415686  1
  Fe  Fe34  1  0.755214  0.912279  0.385104  1
  Fe  Fe35  1  0.058189  0.346250  0.415686  1
  Fe  Fe36  1  0.724855  0.346250  0.415686  1
  Fe  Fe37  1  0.186743  0.519090  0.450490  1
  Fe  Fe38  1  0.853409  0.519090  0.450490  1
  Fe  Fe39  1  0.208830  0.059505  0.428050  1
  Fe  Fe40  1  0.520076  0.519090  0.450490  1
  Fe  Fe41  1  0.875497  0.059505  0.428050  1
  Fe  Fe42  1  0.542164  0.059505  0.428050  1
  Fe  Fe43  1  0.361137  0.784712  0.442488  1
  Fe  Fe44  1  0.027804  0.784712  0.442488  1
  Fe  Fe45  1  0.339244  0.237721  0.461341  1
  Fe  Fe46  1  0.694470  0.784712  0.442488  1
  Fe  Fe47  1  0.005911  0.237721  0.461341  1
  Fe  Fe48  1  0.672578  0.237721  0.461341  1
  Fe  Fe49  1  0.127393  0.389198  0.505930  1
  Fe  Fe50  1  0.794060  0.389198  0.505930  1
  Fe  Fe51  1  0.158514  0.962646  0.475295  1
  Fe  Fe52  1  0.460726  0.389198  0.505930  1
  Fe  Fe53  1  0.825180  0.962646  0.475295  1
  Fe  Fe54  1  0.491847  0.962646  0.475295  1
  Fe  Fe55  1  0.310125  0.677334  0.490487  1
  Fe  Fe56  1  0.976791  0.677334  0.490487  1
  Fe  Fe57  1  0.279787  0.115318  0.518198  1
  Fe  Fe58  1  0.643458  0.677334  0.490487  1
  Fe  Fe59  1  0.946453  0.115318  0.518198  1
  Fe  Fe60  1  0.613120  0.115318  0.518198  1
  Fe  Fe61  1  0.074139  0.288154  0.553705  1
  Fe  Fe62  1  0.740806  0.288154  0.553705  1
  Fe  Fe63  1  0.100105  0.835504  0.530406  1
  Fe  Fe64  1  0.407472  0.288154  0.553705  1
  Fe  Fe65  1  0.766772  0.835504  0.530406  1
  Fe  Fe66  1  0.433438  0.835504  0.530406  1
  Fe  Fe67  1  0.258758  0.570536  0.537931  1
  Fe  Fe68  1  0.925424  0.570536  0.537931  1
  Fe  Fe69  1  0.230892  0.012173  0.563868  1
  Fe  Fe70  1  0.592091  0.570536  0.537931  1
  Fe  Fe71  1  0.897559  0.012173  0.563868  1
  Fe  Fe72  1  0.564226  0.012173  0.563868  1
  Fe  Fe73  1  0.025249  0.178979  0.600774  1
  Fe  Fe74  1  0.691916  0.178979  0.600774  1
  Fe  Fe75  1  0.051441  0.734544  0.576855  1
  Fe  Fe76  1  0.358583  0.178979  0.600774  1
  Fe  Fe77  1  0.718108  0.734544  0.576855  1
  Fe  Fe78  1  0.384774  0.734544  0.576855  1
  Fe  Fe79  1  0.198804  0.444566  0.594496  1
  Fe  Fe80  1  0.865470  0.444566  0.594496  1
  Fe  Fe81  1  0.170639  0.886224  0.619773  1
  Fe  Fe82  1  0.532137  0.444566  0.594496  1
  Fe  Fe83  1  0.837306  0.886224  0.619773  1
  Fe  Fe84  1  0.503972  0.886224  0.619773  1
  Fe  Fe85  1  0.963705  0.055929  0.657592  1
  Fe  Fe86  1  0.630372  0.055929  0.657592  1
  Fe  Fe87  1  0.992942  0.612385  0.631843  1
  Fe  Fe88  1  0.297039  0.055929  0.657592  1
  Fe  Fe89  1  0.659608  0.612385  0.631843  1
  Fe  Fe90  1  0.326275  0.612385  0.631843  1
  Fe  Fe91  1  0.147398  0.342835  0.642260  1
  Fe  Fe92  1  0.814064  0.342835  0.642260  1
  Fe  Fe93  1  0.120617  0.781243  0.666850  1
  Fe  Fe94  1  0.480731  0.342835  0.642260  1
  Fe  Fe95  1  0.787284  0.781243  0.666850  1
  Fe  Fe96  1  0.453951  0.781243  0.666850  1
  Fe  Fe97  1  0.906906  0.959859  0.699077  1
  Fe  Fe98  1  0.573573  0.959859  0.699077  1
  Fe  Fe99  1  0.940513  0.506826  0.673146  1
  Fe  Fe100  1  0.240239  0.959859  0.699077  1
  Fe  Fe101  1  0.607179  0.506826  0.673146  1
  Fe  Fe102  1  0.273846  0.506826  0.673146  1
  Fe  Fe103  1  0.094846  0.232031  0.689241  1
  Fe  Fe104  1  0.761513  0.232031  0.689241  1
  Fe  Fe105  1  0.073128  0.675845  0.708885  1
  Fe  Fe106  1  0.428180  0.232031  0.689241  1
  Fe  Fe107  1  0.739795  0.675845  0.708885  1
  Fe  Fe108  1  0.406461  0.675845  0.708885  1
  P  P109  1  0.590890  0.983357  0.310835  1
  P  P110  1  0.257557  0.983357  0.310835  1
  P  P111  1  0.617207  0.537641  0.289373  1
  P  P112  1  0.924224  0.983357  0.310835  1
  P  P113  1  0.283874  0.537641  0.289373  1
  P  P114  1  0.950541  0.537641  0.289373  1
  P  P115  1  0.406922  0.154419  0.309216  1
  P  P116  1  0.073589  0.154419  0.309216  1
  P  P117  1  0.446456  0.696259  0.286900  1
  P  P118  1  0.740255  0.154419  0.309216  1
  P  P119  1  0.113123  0.696259  0.286900  1
  P  P120  1  0.779790  0.696259  0.286900  1
  P  P121  1  0.563787  0.222259  0.320673  1
  P  P122  1  0.230454  0.222259  0.320673  1
  P  P123  1  0.598176  0.763772  0.297230  1
  P  P124  1  0.897121  0.222259  0.320673  1
  P  P125  1  0.264843  0.763772  0.297230  1
  P  P126  1  0.931509  0.763772  0.297230  1
  P  P127  1  0.436890  0.924773  0.299469  1
  P  P128  1  0.103557  0.924773  0.299469  1
  P  P129  1  0.478212  0.452454  0.279964  1
  P  P130  1  0.770224  0.924773  0.299469  1
  P  P131  1  0.144879  0.452454  0.279964  1
  P  P132  1  0.811546  0.452454  0.279964  1
  P  P133  1  0.537191  0.876272  0.363393  1
  P  P134  1  0.203858  0.876272  0.363393  1
  P  P135  1  0.562907  0.432763  0.343915  1
  P  P136  1  0.870524  0.876272  0.363393  1
  P  P137  1  0.229574  0.432763  0.343915  1
  P  P138  1  0.896241  0.432763  0.343915  1
  P  P139  1  0.354580  0.043051  0.360006  1
  P  P140  1  0.021247  0.043051  0.360006  1
  P  P141  1  0.385544  0.592877  0.338345  1
  P  P142  1  0.687914  0.043051  0.360006  1
  P  P143  1  0.052211  0.592877  0.338345  1
  P  P144  1  0.718878  0.592877  0.338345  1
  P  P145  1  0.512693  0.102099  0.375545  1
  P  P146  1  0.179360  0.102099  0.375545  1
  P  P147  1  0.540477  0.656439  0.351249  1
  P  P148  1  0.846026  0.102099  0.375545  1
  P  P149  1  0.207143  0.656439  0.351249  1
  P  P150  1  0.873810  0.656439  0.351249  1
  P  P151  1  0.386604  0.812905  0.352687  1
  P  P152  1  0.053271  0.812905  0.352687  1
  P  P153  1  0.411153  0.364777  0.331087  1
  P  P154  1  0.719937  0.812905  0.352687  1
  P  P155  1  0.077820  0.364777  0.331087  1
  P  P156  1  0.744487  0.364777  0.331087  1
  P  P157  1  0.476519  0.767490  0.415382  1
  P  P158  1  0.143186  0.767490  0.415382  1
  P  P159  1  0.507959  0.317703  0.391799  1
  P  P160  1  0.809853  0.767490  0.415382  1
  P  P161  1  0.174626  0.317703  0.391799  1
  P  P162  1  0.841292  0.317703  0.391799  1
  P  P163  1  0.306299  0.926766  0.412895  1
  P  P164  1  0.972965  0.926766  0.412895  1
  P  P165  1  0.331985  0.485557  0.389602  1
  P  P166  1  0.639632  0.926766  0.412895  1
  P  P167  1  0.998652  0.485557  0.389602  1
  P  P168  1  0.665318  0.485557  0.389602  1
  P  P169  1  0.453723  0.989545  0.425154  1
  P  P170  1  0.120390  0.989545  0.425154  1
  P  P171  1  0.479539  0.548456  0.402240  1
  P  P172  1  0.787057  0.989545  0.425154  1
  P  P173  1  0.146205  0.548456  0.402240  1
  P  P174  1  0.812872  0.548456  0.402240  1
  P  P175  1  0.323343  0.705709  0.401722  1
  P  P176  1  0.990010  0.705709  0.401722  1
  P  P177  1  0.357051  0.254400  0.377676  1
  P  P178  1  0.656677  0.705709  0.401722  1
  P  P179  1  0.023718  0.254400  0.377676  1
  P  P180  1  0.690384  0.254400  0.377676  1
  P  P181  1  0.425338  0.651034  0.466836  1
  P  P182  1  0.092005  0.651034  0.466836  1
  P  P183  1  0.453648  0.205496  0.440799  1
  P  P184  1  0.758672  0.651034  0.466836  1
  P  P185  1  0.120315  0.205496  0.440799  1
  P  P186  1  0.786981  0.205496  0.440799  1
  P  P187  1  0.247182  0.816552  0.463813  1
  P  P188  1  0.913848  0.816552  0.463813  1
  P  P189  1  0.275932  0.374218  0.438393  1
  P  P190  1  0.580515  0.816552  0.463813  1
  P  P191  1  0.942599  0.374218  0.438393  1
  P  P192  1  0.609266  0.374218  0.438393  1
  P  P193  1  0.402732  0.876581  0.477775  1
  P  P194  1  0.069399  0.876581  0.477775  1
  P  P195  1  0.431623  0.431660  0.453325  1
  P  P196  1  0.736065  0.876581  0.477775  1
  P  P197  1  0.098290  0.431660  0.453325  1
  P  P198  1  0.764956  0.431660  0.453325  1
  P  P199  1  0.275063  0.590619  0.453306  1
  P  P200  1  0.941730  0.590619  0.453306  1
  P  P201  1  0.297662  0.146001  0.425860  1
  P  P202  1  0.608397  0.590619  0.453306  1
  P  P203  1  0.964329  0.146001  0.425860  1
  P  P204  1  0.630995  0.146001  0.425860  1
  P  P205  1  0.372731  0.537075  0.516916  1
  P  P206  1  0.039398  0.537075  0.516916  1
  P  P207  1  0.394792  0.096266  0.490569  1
  P  P208  1  0.706064  0.537075  0.516916  1
  P  P209  1  0.061458  0.096266  0.490569  1
  P  P210  1  0.728125  0.096266  0.490569  1
  P  P211  1  0.194677  0.704598  0.514164  1
  P  P212  1  0.861343  0.704598  0.514164  1
  P  P213  1  0.223911  0.256883  0.488962  1
  P  P214  1  0.528010  0.704598  0.514164  1
  P  P215  1  0.890578  0.256883  0.488962  1
  P  P216  1  0.557244  0.256883  0.488962  1
  P  P217  1  0.345122  0.764763  0.527641  1
  P  P218  1  0.011788  0.764763  0.527641  1
  P  P219  1  0.372521  0.318580  0.502356  1
  P  P220  1  0.678455  0.764763  0.527641  1
  P  P221  1  0.039187  0.318580  0.502356  1
  P  P222  1  0.705854  0.318580  0.502356  1
  P  P223  1  0.217208  0.477430  0.502798  1
  P  P224  1  0.883874  0.477430  0.502798  1
  P  P225  1  0.247210  0.033996  0.477976  1
  P  P226  1  0.550541  0.477430  0.502798  1
  P  P227  1  0.913877  0.033996  0.477976  1
  P  P228  1  0.580544  0.033996  0.477976  1
  P  P229  1  0.313099  0.427540  0.567228  1
  P  P230  1  0.979765  0.427540  0.567228  1
  P  P231  1  0.345765  0.980230  0.542151  1
  P  P232  1  0.646432  0.427540  0.567228  1
  P  P233  1  0.012431  0.980230  0.542151  1
  P  P234  1  0.679098  0.980230  0.542151  1
  P  P235  1  0.143384  0.589000  0.564743  1
  P  P236  1  0.810050  0.589000  0.564743  1
  P  P237  1  0.165532  0.146835  0.539137  1
  P  P238  1  0.476717  0.589000  0.564743  1
  P  P239  1  0.832199  0.146835  0.539137  1
  P  P240  1  0.498865  0.146835  0.539137  1
  P  P241  1  0.295812  0.650395  0.578730  1
  P  P242  1  0.962479  0.650395  0.578730  1
  P  P243  1  0.319275  0.207448  0.552478  1
  P  P244  1  0.629146  0.650395  0.578730  1
  P  P245  1  0.985942  0.207448  0.552478  1
  P  P246  1  0.652609  0.207448  0.552478  1
  P  P247  1  0.164275  0.364514  0.554443  1
  P  P248  1  0.830942  0.364514  0.554443  1
  P  P249  1  0.188935  0.921978  0.527761  1
  P  P250  1  0.497609  0.364514  0.554443  1
  P  P251  1  0.855602  0.921978  0.527761  1
  P  P252  1  0.522269  0.921978  0.527761  1
  P  P253  1  0.263583  0.310831  0.617972  1
  P  P254  1  0.930250  0.310831  0.617972  1
  P  P255  1  0.286770  0.870263  0.592380  1
  P  P256  1  0.596917  0.310831  0.617972  1
  P  P257  1  0.953436  0.870263  0.592380  1
  P  P258  1  0.620103  0.870263  0.592380  1
  P  P259  1  0.084395  0.478146  0.614908  1
  P  P260  1  0.751062  0.478146  0.614908  1
  P  P261  1  0.115830  0.031691  0.590276  1
  P  P262  1  0.417729  0.478146  0.614908  1
  P  P263  1  0.782497  0.031691  0.590276  1
  P  P264  1  0.449164  0.031691  0.590276  1
  P  P265  1  0.233370  0.542787  0.627619  1
  P  P266  1  0.900036  0.542787  0.627619  1
  P  P267  1  0.269013  0.093096  0.603976  1
  P  P268  1  0.566703  0.542787  0.627619  1
  P  P269  1  0.935680  0.093096  0.603976  1
  P  P270  1  0.602346  0.093096  0.603976  1
  P  P271  1  0.112169  0.251202  0.604044  1
  P  P272  1  0.778836  0.251202  0.604044  1
  P  P273  1  0.139329  0.807780  0.579992  1
  P  P274  1  0.445503  0.251202  0.604044  1
  P  P275  1  0.805996  0.807780  0.579992  1
  P  P276  1  0.472662  0.807780  0.579992  1
  P  P277  1  0.207432  0.200455  0.667392  1
  P  P278  1  0.874098  0.200455  0.667392  1
  P  P279  1  0.237250  0.755119  0.644445  1
  P  P280  1  0.540765  0.200455  0.667392  1
  P  P281  1  0.903917  0.755119  0.644445  1
  P  P282  1  0.570584  0.755119  0.644445  1
  P  P283  1  0.032063  0.366349  0.664708  1
  P  P284  1  0.698729  0.366349  0.664708  1
  P  P285  1  0.056058  0.920448  0.641685  1
  P  P286  1  0.365396  0.366349  0.664708  1
  P  P287  1  0.722725  0.920448  0.641685  1
  P  P288  1  0.389391  0.920448  0.641685  1
  P  P289  1  0.187812  0.425566  0.679862  1
  P  P290  1  0.854479  0.425566  0.679862  1
  P  P291  1  0.206797  0.982915  0.652526  1
  P  P292  1  0.521145  0.425566  0.679862  1
  P  P293  1  0.873464  0.982915  0.652526  1
  P  P294  1  0.540130  0.982915  0.652526  1
  P  P295  1  0.052851  0.139351  0.654234  1
  P  P296  1  0.719517  0.139351  0.654234  1
  P  P297  1  0.079590  0.696508  0.629146  1
  P  P298  1  0.386184  0.139351  0.654234  1
  P  P299  1  0.746257  0.696508  0.629146  1
  P  P300  1  0.412924  0.696508  0.629146  1
  P  P301  1  0.147849  0.090619  0.718845  1
  P  P302  1  0.814515  0.090619  0.718845  1
  P  P303  1  0.187462  0.641873  0.695866  1
  P  P304  1  0.481182  0.090619  0.718845  1
  P  P305  1  0.854129  0.641873  0.695866  1
  P  P306  1  0.520796  0.641873  0.695866  1
  P  P307  1  0.980027  0.252365  0.715555  1
  P  P308  1  0.646694  0.252365  0.715555  1
  P  P309  1  0.002492  0.811762  0.693891  1
  P  P310  1  0.313360  0.252365  0.715555  1
  P  P311  1  0.669158  0.811762  0.693891  1
  P  P312  1  0.335825  0.811762  0.693891  1
  P  P313  1  0.125163  0.315031  0.728001  1
  P  P314  1  0.791830  0.315031  0.728001  1
  P  P315  1  0.157105  0.869280  0.705692  1
  P  P316  1  0.458496  0.315031  0.728001  1
  P  P317  1  0.823771  0.869280  0.705692  1
  P  P318  1  0.490438  0.869280  0.705692  1
  P  P319  1  0.995645  0.029848  0.708112  1
  P  P320  1  0.662312  0.029848  0.708112  1
  P  P321  1  0.030914  0.578200  0.682527  1
  P  P322  1  0.328978  0.029848  0.708112  1
  P  P323  1  0.697581  0.578200  0.682527  1
  P  P324  1  0.364247  0.578200  0.682527  1
