# generated using pymatgen
data_FeP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.13275653
_cell_length_b   18.69261227
_cell_length_c   52.08173212
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   98.91194648
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeP2
_chemical_formula_sum   'Fe90 P180'
_cell_volume   10707.3806221
_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  0.171496  0.439584  0.305194  1
  Fe  Fe2  1  0.838163  0.106250  0.305194  1
  Fe  Fe3  1  0.935307  0.412306  0.332003  1
  Fe  Fe4  1  0.412764  0.458476  0.279631  1
  Fe  Fe5  1  0.504830  0.772917  0.305194  1
  Fe  Fe6  1  0.601974  0.078973  0.332003  1
  Fe  Fe7  1  0.079430  0.125143  0.279631  1
  Fe  Fe8  1  0.268640  0.745639  0.332003  1
  Fe  Fe9  1  0.746097  0.791809  0.279631  1
  Fe  Fe10  1  0.957585  0.611818  0.294243  1
  Fe  Fe11  1  0.624252  0.278485  0.294243  1
  Fe  Fe12  1  0.708549  0.590523  0.318372  1
  Fe  Fe13  1  0.471943  0.570142  0.346602  1
  Fe  Fe14  1  0.290918  0.945152  0.294243  1
  Fe  Fe15  1  0.375216  0.257190  0.318372  1
  Fe  Fe16  1  0.138610  0.236809  0.346602  1
  Fe  Fe17  1  0.041882  0.923857  0.318372  1
  Fe  Fe18  1  0.805276  0.903476  0.346602  1
  Fe  Fe19  1  0.406118  0.366947  0.394520  1
  Fe  Fe20  1  0.072785  0.033613  0.394520  1
  Fe  Fe21  1  0.166945  0.345832  0.423061  1
  Fe  Fe22  1  0.644365  0.388264  0.365827  1
  Fe  Fe23  1  0.739451  0.700280  0.394520  1
  Fe  Fe24  1  0.833612  0.012499  0.423061  1
  Fe  Fe25  1  0.311031  0.054931  0.365827  1
  Fe  Fe26  1  0.500279  0.679165  0.423061  1
  Fe  Fe27  1  0.977698  0.721597  0.365827  1
  Fe  Fe28  1  0.191476  0.545226  0.381124  1
  Fe  Fe29  1  0.858143  0.211893  0.381124  1
  Fe  Fe30  1  0.955090  0.520010  0.407550  1
  Fe  Fe31  1  0.678983  0.499522  0.442492  1
  Fe  Fe32  1  0.524809  0.878560  0.381124  1
  Fe  Fe33  1  0.621757  0.186677  0.407550  1
  Fe  Fe34  1  0.345650  0.166189  0.442492  1
  Fe  Fe35  1  0.288424  0.853344  0.407550  1
  Fe  Fe36  1  0.012316  0.832856  0.442492  1
  Fe  Fe37  1  0.650804  0.297958  0.484984  1
  Fe  Fe38  1  0.317470  0.964625  0.484984  1
  Fe  Fe39  1  0.369723  0.269456  0.517933  1
  Fe  Fe40  1  0.882159  0.317530  0.456804  1
  Fe  Fe41  1  0.984137  0.631291  0.484984  1
  Fe  Fe42  1  0.036390  0.936123  0.517933  1
  Fe  Fe43  1  0.548826  0.984197  0.456804  1
  Fe  Fe44  1  0.703057  0.602789  0.517933  1
  Fe  Fe45  1  0.215492  0.650863  0.456804  1
  Fe  Fe46  1  0.443386  0.474439  0.469468  1
  Fe  Fe47  1  0.110053  0.141106  0.469468  1
  Fe  Fe48  1  0.165249  0.450784  0.503039  1
  Fe  Fe49  1  0.931444  0.427250  0.530907  1
  Fe  Fe50  1  0.776719  0.807772  0.469468  1
  Fe  Fe51  1  0.831916  0.117451  0.503039  1
  Fe  Fe52  1  0.598111  0.093916  0.530907  1
  Fe  Fe53  1  0.498583  0.784117  0.503039  1
  Fe  Fe54  1  0.264778  0.760583  0.530907  1
  Fe  Fe55  1  0.851689  0.223501  0.579824  1
  Fe  Fe56  1  0.518355  0.890167  0.579824  1
  Fe  Fe57  1  0.616489  0.199507  0.608965  1
  Fe  Fe58  1  0.137771  0.249197  0.545727  1
  Fe  Fe59  1  0.185022  0.556834  0.579824  1
  Fe  Fe60  1  0.283156  0.866174  0.608965  1
  Fe  Fe61  1  0.804437  0.915864  0.545727  1
  Fe  Fe62  1  0.949822  0.532841  0.608965  1
  Fe  Fe63  1  0.471104  0.582530  0.545727  1
  Fe  Fe64  1  0.647760  0.401001  0.564152  1
  Fe  Fe65  1  0.314426  0.067667  0.564152  1
  Fe  Fe66  1  0.407992  0.380238  0.593281  1
  Fe  Fe67  1  0.165917  0.354061  0.620596  1
  Fe  Fe68  1  0.981093  0.734334  0.564152  1
  Fe  Fe69  1  0.074658  0.046905  0.593281  1
  Fe  Fe70  1  0.832584  0.020728  0.620596  1
  Fe  Fe71  1  0.741325  0.713572  0.593281  1
  Fe  Fe72  1  0.499250  0.687395  0.620596  1
  Fe  Fe73  1  0.083181  0.155116  0.669505  1
  Fe  Fe74  1  0.749847  0.821783  0.669505  1
  Fe  Fe75  1  0.862740  0.127601  0.695245  1
  Fe  Fe76  1  0.374180  0.177818  0.636045  1
  Fe  Fe77  1  0.416514  0.488449  0.669505  1
  Fe  Fe78  1  0.529407  0.794268  0.695245  1
  Fe  Fe79  1  0.040847  0.844485  0.636045  1
  Fe  Fe80  1  0.196073  0.460935  0.695245  1
  Fe  Fe81  1  0.707513  0.511152  0.636045  1
  Fe  Fe82  1  0.883632  0.335836  0.658493  1
  Fe  Fe83  1  0.550298  0.002503  0.658493  1
  Fe  Fe84  1  0.640075  0.310591  0.685046  1
  Fe  Fe85  1  0.385615  0.287211  0.706085  1
  Fe  Fe86  1  0.216965  0.669169  0.658493  1
  Fe  Fe87  1  0.306742  0.977257  0.685046  1
  Fe  Fe88  1  0.052282  0.953878  0.706085  1
  Fe  Fe89  1  0.973409  0.643924  0.685046  1
  Fe  Fe90  1  0.718949  0.620544  0.706085  1
  P  P91  1  0.151180  0.561500  0.291727  1
  P  P92  1  0.817847  0.228167  0.291727  1
  P  P93  1  0.890080  0.531888  0.323983  1
  P  P94  1  0.638879  0.511127  0.353787  1
  P  P95  1  0.484514  0.894833  0.291727  1
  P  P96  1  0.556747  0.198554  0.323983  1
  P  P97  1  0.305545  0.177793  0.353787  1
  P  P98  1  0.223413  0.865221  0.323983  1
  P  P99  1  0.972212  0.844460  0.353787  1
  P  P100  1  0.280063  0.623047  0.344921  1
  P  P101  1  0.946729  0.289714  0.344921  1
  P  P102  1  0.793603  0.670612  0.282758  1
  P  P103  1  0.527212  0.645012  0.310749  1
  P  P104  1  0.613396  0.956381  0.344921  1
  P  P105  1  0.460270  0.337279  0.282758  1
  P  P106  1  0.193879  0.311679  0.310749  1
  P  P107  1  0.126936  0.003946  0.282758  1
  P  P108  1  0.860545  0.978346  0.310749  1
  P  P109  1  0.050418  0.704850  0.321006  1
  P  P110  1  0.717085  0.371517  0.321006  1
  P  P111  1  0.788808  0.679201  0.350170  1
  P  P112  1  0.308101  0.732957  0.287371  1
  P  P113  1  0.383751  0.038184  0.321006  1
  P  P114  1  0.455475  0.345868  0.350170  1
  P  P115  1  0.974768  0.399623  0.287371  1
  P  P116  1  0.122141  0.012535  0.350170  1
  P  P117  1  0.641435  0.066290  0.287371  1
  P  P118  1  0.124156  0.455966  0.348295  1
  P  P119  1  0.790822  0.122633  0.348295  1
  P  P120  1  0.633600  0.500442  0.285920  1
  P  P121  1  0.377572  0.475258  0.320249  1
  P  P122  1  0.457489  0.789299  0.348295  1
  P  P123  1  0.300267  0.167108  0.285920  1
  P  P124  1  0.044239  0.141925  0.320249  1
  P  P125  1  0.966933  0.833775  0.285920  1
  P  P126  1  0.710906  0.808592  0.320249  1
  P  P127  1  0.380421  0.491265  0.383715  1
  P  P128  1  0.047087  0.157932  0.383715  1
  P  P129  1  0.126403  0.464148  0.414708  1
  P  P130  1  0.865928  0.442117  0.443834  1
  P  P131  1  0.713754  0.824599  0.383715  1
  P  P132  1  0.793070  0.130815  0.414708  1
  P  P133  1  0.532595  0.108784  0.443834  1
  P  P134  1  0.459736  0.797482  0.414708  1
  P  P135  1  0.199262  0.775450  0.443834  1
  P  P136  1  0.508261  0.556656  0.435752  1
  P  P137  1  0.174928  0.223323  0.435752  1
  P  P138  1  0.020687  0.602482  0.374619  1
  P  P139  1  0.767385  0.576320  0.406311  1
  P  P140  1  0.841594  0.889990  0.435752  1
  P  P141  1  0.687354  0.269149  0.374619  1
  P  P142  1  0.434052  0.242987  0.406311  1
  P  P143  1  0.354020  0.935816  0.374619  1
  P  P144  1  0.100719  0.909654  0.406311  1
  P  P145  1  0.282330  0.635052  0.411976  1
  P  P146  1  0.948997  0.301719  0.411976  1
  P  P147  1  0.021259  0.609145  0.440941  1
  P  P148  1  0.536765  0.657700  0.379414  1
  P  P149  1  0.615664  0.968386  0.411976  1
  P  P150  1  0.687926  0.275811  0.440941  1
  P  P151  1  0.203432  0.324367  0.379414  1
  P  P152  1  0.354592  0.942478  0.440941  1
  P  P153  1  0.870099  0.991034  0.379414  1
  P  P154  1  0.357125  0.385048  0.439342  1
  P  P155  1  0.023791  0.051715  0.439342  1
  P  P156  1  0.864186  0.429756  0.377493  1
  P  P157  1  0.609631  0.409976  0.409343  1
  P  P158  1  0.690458  0.718381  0.439342  1
  P  P159  1  0.530852  0.096423  0.377493  1
  P  P160  1  0.276298  0.076643  0.409343  1
  P  P161  1  0.197519  0.763090  0.377493  1
  P  P162  1  0.942964  0.743310  0.409343  1
  P  P163  1  0.613963  0.417387  0.476088  1
  P  P164  1  0.280630  0.084054  0.476088  1
  P  P165  1  0.352771  0.394725  0.505047  1
  P  P166  1  0.099964  0.369386  0.536591  1
  P  P167  1  0.947297  0.750721  0.476088  1
  P  P168  1  0.019438  0.061391  0.505047  1
  P  P169  1  0.766631  0.036052  0.536591  1
  P  P170  1  0.686104  0.728058  0.505047  1
  P  P171  1  0.433298  0.702719  0.536591  1
  P  P172  1  0.741160  0.481004  0.528553  1
  P  P173  1  0.407826  0.147671  0.528553  1
  P  P174  1  0.254138  0.529225  0.467450  1
  P  P175  1  0.993489  0.507545  0.496674  1
  P  P176  1  0.074493  0.814338  0.528553  1
  P  P177  1  0.920805  0.195892  0.467450  1
  P  P178  1  0.660155  0.174212  0.496674  1
  P  P179  1  0.587472  0.862558  0.467450  1
  P  P180  1  0.326822  0.840878  0.496674  1
  P  P181  1  0.507803  0.562897  0.502043  1
  P  P182  1  0.174470  0.229564  0.502043  1
  P  P183  1  0.255226  0.540048  0.534213  1
  P  P184  1  0.769411  0.587568  0.473315  1
  P  P185  1  0.841137  0.896231  0.502043  1
  P  P186  1  0.921892  0.206715  0.534213  1
  P  P187  1  0.436078  0.254235  0.473315  1
  P  P188  1  0.588559  0.873382  0.534213  1
  P  P189  1  0.102745  0.920901  0.473315  1
  P  P190  1  0.582272  0.313610  0.530302  1
  P  P191  1  0.248939  0.980277  0.530302  1
  P  P192  1  0.095264  0.362354  0.468847  1
  P  P193  1  0.842895  0.337247  0.500902  1
  P  P194  1  0.915605  0.646944  0.530302  1
  P  P195  1  0.761930  0.029021  0.468847  1
  P  P196  1  0.509561  0.003914  0.500902  1
  P  P197  1  0.428597  0.695687  0.468847  1
  P  P198  1  0.176228  0.670580  0.500902  1
  P  P199  1  0.840157  0.347496  0.566732  1
  P  P200  1  0.506823  0.014163  0.566732  1
  P  P201  1  0.585525  0.322504  0.598012  1
  P  P202  1  0.330983  0.297515  0.627063  1
  P  P203  1  0.173490  0.680830  0.566732  1
  P  P204  1  0.252192  0.989170  0.598012  1
  P  P205  1  0.997650  0.964182  0.627063  1
  P  P206  1  0.918859  0.655837  0.598012  1
  P  P207  1  0.664317  0.630849  0.627063  1
  P  P208  1  0.974128  0.409612  0.619932  1
  P  P209  1  0.640795  0.076279  0.619932  1
  P  P210  1  0.480108  0.458917  0.557822  1
  P  P211  1  0.227860  0.437154  0.588137  1
  P  P212  1  0.307461  0.742946  0.619932  1
  P  P213  1  0.146775  0.125584  0.557822  1
  P  P214  1  0.894526  0.103821  0.588137  1
  P  P215  1  0.813441  0.792250  0.557822  1
  P  P216  1  0.561193  0.770488  0.588137  1
  P  P217  1  0.744181  0.490602  0.593726  1
  P  P218  1  0.410847  0.157269  0.593726  1
  P  P219  1  0.487130  0.470886  0.624471  1
  P  P220  1  0.995183  0.515410  0.563812  1
  P  P221  1  0.077514  0.823936  0.593726  1
  P  P222  1  0.153797  0.137552  0.624471  1
  P  P223  1  0.661849  0.182077  0.563812  1
  P  P224  1  0.820464  0.804219  0.624471  1
  P  P225  1  0.328516  0.848744  0.563812  1
  P  P226  1  0.818649  0.246313  0.623690  1
  P  P227  1  0.485315  0.912980  0.623690  1
  P  P228  1  0.329558  0.289432  0.561643  1
  P  P229  1  0.069381  0.266173  0.590499  1
  P  P230  1  0.151982  0.579646  0.623690  1
  P  P231  1  0.996224  0.956099  0.561643  1
  P  P232  1  0.736048  0.932840  0.590499  1
  P  P233  1  0.662891  0.622766  0.561643  1
  P  P234  1  0.402714  0.599506  0.590499  1
  P  P235  1  0.072343  0.279097  0.657967  1
  P  P236  1  0.739010  0.945764  0.657967  1
  P  P237  1  0.819345  0.252303  0.692610  1
  P  P238  1  0.542054  0.232899  0.719716  1
  P  P239  1  0.405676  0.612431  0.657967  1
  P  P240  1  0.486012  0.918970  0.692610  1
  P  P241  1  0.208720  0.899565  0.719716  1
  P  P242  1  0.152679  0.585636  0.692610  1
  P  P243  1  0.875387  0.566232  0.719716  1
  P  P244  1  0.203407  0.339367  0.710979  1
  P  P245  1  0.870074  0.006033  0.710979  1
  P  P246  1  0.717158  0.389414  0.649726  1
  P  P247  1  0.459664  0.366723  0.676387  1
  P  P248  1  0.536740  0.672700  0.710979  1
  P  P249  1  0.383824  0.056081  0.649726  1
  P  P250  1  0.126330  0.033389  0.676387  1
  P  P251  1  0.050491  0.722747  0.649726  1
  P  P252  1  0.792997  0.700056  0.676387  1
  P  P253  1  0.973412  0.423141  0.689182  1
  P  P254  1  0.640079  0.089807  0.689182  1
  P  P255  1  0.698680  0.399645  0.716134  1
  P  P256  1  0.223815  0.444949  0.653370  1
  P  P257  1  0.306745  0.756474  0.689182  1
  P  P258  1  0.365347  0.066311  0.716134  1
  P  P259  1  0.890482  0.111616  0.653370  1
  P  P260  1  0.032014  0.732978  0.716134  1
  P  P261  1  0.557148  0.778283  0.653370  1
  P  P262  1  0.052970  0.166332  0.714701  1
  P  P263  1  0.719636  0.832999  0.714701  1
  P  P264  1  0.568064  0.217911  0.653305  1
  P  P265  1  0.299664  0.195003  0.679922  1
  P  P266  1  0.386303  0.499665  0.714701  1
  P  P267  1  0.234731  0.884577  0.653305  1
  P  P268  1  0.966330  0.861669  0.679922  1
  P  P269  1  0.901398  0.551244  0.653305  1
  P  P270  1  0.632997  0.528336  0.679922  1
