# generated using pymatgen
data_FeP4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   20.27717711
_cell_length_b   12.98801513
_cell_length_c   52.57143873
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   57.50396563
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeP4
_chemical_formula_sum   'Fe48 P192'
_cell_volume   11677.4625474
_cell_formula_units_Z   48
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  0.066761  0.373124  0.306533  1
  Fe  Fe2  1  0.980353  0.021444  0.354996  1
  Fe  Fe3  1  0.531293  0.198505  0.313197  1
  Fe  Fe4  1  0.459109  0.843901  0.368600  1
  Fe  Fe5  1  0.761831  0.058681  0.300822  1
  Fe  Fe6  1  0.693967  0.564151  0.334071  1
  Fe  Fe7  1  0.138871  0.396659  0.378374  1
  Fe  Fe8  1  0.213906  0.745742  0.321422  1
  Fe  Fe9  1  0.883302  0.965110  0.324925  1
  Fe  Fe10  1  0.798182  0.607468  0.369381  1
  Fe  Fe11  1  0.360302  0.496278  0.318612  1
  Fe  Fe12  1  0.310545  0.096520  0.371910  1
  Fe  Fe13  1  0.912929  0.665584  0.411784  1
  Fe  Fe14  1  0.842542  0.301332  0.469064  1
  Fe  Fe15  1  0.389945  0.475906  0.426228  1
  Fe  Fe16  1  0.322078  0.110069  0.481706  1
  Fe  Fe17  1  0.625278  0.200557  0.390733  1
  Fe  Fe18  1  0.558047  0.834145  0.446710  1
  Fe  Fe19  1  0.998859  0.669897  0.488959  1
  Fe  Fe20  1  0.068257  0.033357  0.433640  1
  Fe  Fe21  1  0.728442  0.245640  0.426800  1
  Fe  Fe22  1  0.661885  0.878252  0.481546  1
  Fe  Fe23  1  0.240718  0.733431  0.428817  1
  Fe  Fe24  1  0.172715  0.367905  0.483849  1
  Fe  Fe25  1  0.774404  0.935785  0.524376  1
  Fe  Fe26  1  0.706262  0.567376  0.582327  1
  Fe  Fe27  1  0.251492  0.747852  0.538010  1
  Fe  Fe28  1  0.183979  0.381342  0.592781  1
  Fe  Fe29  1  0.488075  0.470445  0.504070  1
  Fe  Fe30  1  0.419790  0.105106  0.558399  1
  Fe  Fe31  1  0.860437  0.940041  0.601507  1
  Fe  Fe32  1  0.929080  0.306083  0.545550  1
  Fe  Fe33  1  0.591489  0.514725  0.539574  1
  Fe  Fe34  1  0.523261  0.145174  0.594452  1
  Fe  Fe35  1  0.102115  0.006836  0.540093  1
  Fe  Fe36  1  0.033970  0.638617  0.594946  1
  Fe  Fe37  1  0.639329  0.203432  0.638513  1
  Fe  Fe38  1  0.562236  0.837292  0.687663  1
  Fe  Fe39  1  0.113365  0.018782  0.651023  1
  Fe  Fe40  1  0.042021  0.640960  0.700982  1
  Fe  Fe41  1  0.345141  0.736063  0.614693  1
  Fe  Fe42  1  0.280032  0.374704  0.671342  1
  Fe  Fe43  1  0.718307  0.231438  0.705834  1
  Fe  Fe44  1  0.795216  0.577267  0.658928  1
  Fe  Fe45  1  0.459977  0.793337  0.655503  1
  Fe  Fe46  1  0.381824  0.428084  0.700906  1
  Fe  Fe47  1  0.963886  0.273955  0.652478  1
  Fe  Fe48  1  0.901167  0.879011  0.703117  1
  P  P49  1  0.141991  0.465424  0.303528  1
  P  P50  1  0.071461  0.093649  0.358317  1
  P  P51  1  0.602789  0.992820  0.330162  1
  P  P52  1  0.531429  0.629850  0.387669  1
  P  P53  1  0.533595  0.127450  0.387623  1
  P  P54  1  0.604857  0.488108  0.331650  1
  P  P55  1  0.071098  0.595595  0.358299  1
  P  P56  1  0.149880  0.960166  0.304152  1
  P  P57  1  0.090231  0.829413  0.344845  1
  P  P58  1  0.154879  0.208493  0.283998  1
  P  P59  1  0.584852  0.257150  0.344863  1
  P  P60  1  0.656624  0.620159  0.288931  1
  P  P61  1  0.426765  0.034837  0.348386  1
  P  P62  1  0.485910  0.404149  0.293569  1
  P  P63  1  0.911853  0.913008  0.364983  1
  P  P64  1  0.989746  0.273457  0.305975  1
  P  P65  1  0.244727  0.557814  0.340883  1
  P  P66  1  0.320855  0.933297  0.285394  1
  P  P67  1  0.765017  0.662958  0.326310  1
  P  P68  1  0.691010  0.308451  0.384507  1
  P  P69  1  0.253309  0.308358  0.354533  1
  P  P70  1  0.322078  0.684110  0.296353  1
  P  P71  1  0.794711  0.884352  0.319092  1
  P  P72  1  0.723768  0.518312  0.375726  1
  P  P73  1  0.416279  0.286470  0.336606  1
  P  P74  1  0.488891  0.654287  0.282994  1
  P  P75  1  0.880263  0.698300  0.367782  1
  P  P76  1  0.950048  0.061310  0.311476  1
  P  P77  1  0.488810  0.901577  0.294312  1
  P  P78  1  0.423052  0.533383  0.349581  1
  P  P79  1  0.978003  0.782577  0.307290  1
  P  P80  1  0.909483  0.420657  0.360215  1
  P  P81  1  0.314259  0.434309  0.284603  1
  P  P82  1  0.248259  0.060456  0.339887  1
  P  P83  1  0.696543  0.798758  0.382950  1
  P  P84  1  0.765514  0.168465  0.331815  1
  P  P85  1  0.951914  0.556135  0.312851  1
  P  P86  1  0.879650  0.202502  0.370661  1
  P  P87  1  0.477317  0.155357  0.280231  1
  P  P88  1  0.416963  0.782801  0.336069  1
  P  P89  1  0.725174  0.020354  0.375058  1
  P  P90  1  0.800214  0.380195  0.319003  1
  P  P91  1  0.315950  0.184508  0.299867  1
  P  P92  1  0.254700  0.808164  0.355248  1
  P  P93  1  0.150896  0.713517  0.287418  1
  P  P94  1  0.090168  0.324461  0.347021  1
  P  P95  1  0.645424  0.132931  0.284415  1
  P  P96  1  0.584043  0.757541  0.344584  1
  P  P97  1  0.006391  0.728205  0.414068  1
  P  P98  1  0.933698  0.368804  0.469050  1
  P  P99  1  0.462692  0.263591  0.444339  1
  P  P100  1  0.394848  0.898467  0.500627  1
  P  P101  1  0.396049  0.397528  0.501099  1
  P  P102  1  0.465991  0.760672  0.444574  1
  P  P103  1  0.932713  0.869427  0.468662  1
  P  P104  1  0.002611  0.233504  0.413380  1
  P  P105  1  0.947740  0.104626  0.456274  1
  P  P106  1  0.017512  0.466853  0.400700  1
  P  P107  1  0.448251  0.526869  0.458605  1
  P  P108  1  0.518178  0.890848  0.401307  1
  P  P109  1  0.289292  0.299266  0.460848  1
  P  P110  1  0.357760  0.665592  0.405728  1
  P  P111  1  0.769932  0.195777  0.472826  1
  P  P112  1  0.839276  0.560935  0.415557  1
  P  P113  1  0.112559  0.828165  0.452588  1
  P  P114  1  0.184538  0.190293  0.397438  1
  P  P115  1  0.626082  0.938393  0.438696  1
  P  P116  1  0.555328  0.575685  0.496603  1
  P  P117  1  0.115318  0.579917  0.465910  1
  P  P118  1  0.184674  0.944105  0.410285  1
  P  P119  1  0.653059  0.156342  0.432796  1
  P  P120  1  0.586774  0.788650  0.488395  1
  P  P121  1  0.281599  0.546855  0.450311  1
  P  P122  1  0.351303  0.911775  0.393457  1
  P  P123  1  0.741386  0.973847  0.481166  1
  P  P124  1  0.808739  0.341584  0.425916  1
  P  P125  1  0.356174  0.164119  0.405180  1
  P  P126  1  0.285476  0.800350  0.461770  1
  P  P127  1  0.837556  0.063179  0.416897  1
  P  P128  1  0.771350  0.693439  0.471673  1
  P  P129  1  0.182446  0.691660  0.396892  1
  P  P130  1  0.113189  0.326724  0.452295  1
  P  P131  1  0.559012  0.068912  0.495914  1
  P  P132  1  0.625767  0.436543  0.440973  1
  P  P133  1  0.809222  0.841591  0.425087  1
  P  P134  1  0.738098  0.478110  0.482618  1
  P  P135  1  0.349785  0.415735  0.392220  1
  P  P136  1  0.282552  0.047296  0.448461  1
  P  P137  1  0.588184  0.290635  0.488369  1
  P  P138  1  0.657935  0.654160  0.431020  1
  P  P139  1  0.185174  0.446307  0.411184  1
  P  P140  1  0.115125  0.082211  0.466821  1
  P  P141  1  0.019691  0.965635  0.400745  1
  P  P142  1  0.949686  0.602245  0.456044  1
  P  P143  1  0.514612  0.393805  0.401857  1
  P  P144  1  0.447587  0.026501  0.457527  1
  P  P145  1  0.865664  0.002447  0.524826  1
  P  P146  1  0.796631  0.636070  0.581328  1
  P  P147  1  0.324749  0.535899  0.556739  1
  P  P148  1  0.255143  0.169562  0.611930  1
  P  P149  1  0.254358  0.668741  0.611873  1
  P  P150  1  0.327852  0.031274  0.556799  1
  P  P151  1  0.795643  0.136897  0.580728  1
  P  P152  1  0.863613  0.504151  0.524986  1
  P  P153  1  0.810240  0.373482  0.569047  1
  P  P154  1  0.879218  0.738352  0.511623  1
  P  P155  1  0.308931  0.800054  0.570408  1
  P  P156  1  0.379987  0.161979  0.513661  1
  P  P157  1  0.150277  0.572565  0.572597  1
  P  P158  1  0.219328  0.937563  0.517455  1
  P  P159  1  0.633354  0.462222  0.585408  1
  P  P160  1  0.702177  0.829141  0.527844  1
  P  P161  1  0.974253  0.099159  0.563900  1
  P  P162  1  0.044015  0.463594  0.507596  1
  P  P163  1  0.488322  0.208300  0.551501  1
  P  P164  1  0.417023  0.841511  0.610019  1
  P  P165  1  0.976114  0.851846  0.577928  1
  P  P166  1  0.045605  0.217118  0.521900  1
  P  P167  1  0.516065  0.425829  0.545738  1
  P  P168  1  0.445594  0.060439  0.600143  1
  P  P169  1  0.141569  0.820711  0.561503  1
  P  P170  1  0.213069  0.182195  0.505541  1
  P  P171  1  0.603142  0.242150  0.594357  1
  P  P172  1  0.671777  0.608890  0.538459  1
  P  P173  1  0.216620  0.436339  0.516858  1
  P  P174  1  0.146543  0.072671  0.573941  1
  P  P175  1  0.701589  0.329861  0.528965  1
  P  P176  1  0.632789  0.961382  0.584551  1
  P  P177  1  0.043648  0.964069  0.508020  1
  P  P178  1  0.975100  0.596128  0.562966  1
  P  P179  1  0.420618  0.337896  0.608285  1
  P  P180  1  0.488259  0.705337  0.553648  1
  P  P181  1  0.670431  0.111269  0.538455  1
  P  P182  1  0.600793  0.744778  0.594222  1
  P  P183  1  0.211864  0.686180  0.504484  1
  P  P184  1  0.143900  0.319563  0.559240  1
  P  P185  1  0.449393  0.559626  0.600769  1
  P  P186  1  0.520252  0.923858  0.543318  1
  P  P187  1  0.045155  0.719087  0.522353  1
  P  P188  1  0.977542  0.350885  0.579042  1
  P  P189  1  0.880558  0.238303  0.512590  1
  P  P190  1  0.811989  0.871378  0.567895  1
  P  P191  1  0.377317  0.664464  0.514369  1
  P  P192  1  0.308707  0.299429  0.569230  1
  P  P193  1  0.730933  0.267232  0.636579  1
  P  P194  1  0.651927  0.906544  0.691776  1
  P  P195  1  0.186390  0.801644  0.666697  1
  P  P196  1  0.108509  0.447470  0.721648  1
  P  P197  1  0.125461  0.903127  0.721379  1
  P  P198  1  0.188188  0.301890  0.668156  1
  P  P199  1  0.651237  0.416625  0.690493  1
  P  P200  1  0.727330  0.770375  0.637023  1
  P  P201  1  0.675234  0.642437  0.682883  1
  P  P202  1  0.740873  0.007405  0.624180  1
  P  P203  1  0.168373  0.065974  0.684322  1
  P  P204  1  0.239654  0.432557  0.625810  1
  P  P205  1  0.015319  0.833650  0.687388  1
  P  P206  1  0.081577  0.206842  0.630775  1
  P  P207  1  0.495918  0.735369  0.699338  1
  P  P208  1  0.563052  0.103217  0.640744  1
  P  P209  1  0.837227  0.364518  0.677282  1
  P  P210  1  0.905462  0.731171  0.618532  1
  P  P211  1  0.347157  0.485325  0.661176  1
  P  P212  1  0.274869  0.126470  0.718107  1
  P  P213  1  0.843306  0.102151  0.694914  1
  P  P214  1  0.907292  0.483620  0.634571  1
  P  P215  1  0.381603  0.696581  0.658266  1
  P  P216  1  0.311607  0.334466  0.714311  1
  P  P217  1  0.002607  0.087770  0.674663  1
  P  P218  1  0.074630  0.450264  0.615694  1
  P  P219  1  0.463530  0.508203  0.707978  1
  P  P220  1  0.535525  0.883274  0.647396  1
  P  P221  1  0.075836  0.707232  0.629343  1
  P  P222  1  0.008952  0.338397  0.687167  1
  P  P223  1  0.562385  0.604989  0.640951  1
  P  P224  1  0.493429  0.237894  0.696159  1
  P  P225  1  0.906398  0.231179  0.620318  1
  P  P226  1  0.834120  0.855252  0.673958  1
  P  P227  1  0.279274  0.614867  0.718538  1
  P  P228  1  0.348749  0.979148  0.665194  1
  P  P229  1  0.534955  0.381672  0.650958  1
  P  P230  1  0.463253  0.013855  0.706078  1
  P  P231  1  0.072637  0.957801  0.616429  1
  P  P232  1  0.005004  0.580183  0.668291  1
  P  P233  1  0.311139  0.833970  0.711174  1
  P  P234  1  0.380605  0.195789  0.655867  1
  P  P235  1  0.906725  0.986213  0.636005  1
  P  P236  1  0.843312  0.615812  0.693785  1
  P  P237  1  0.741837  0.508270  0.626322  1
  P  P238  1  0.676967  0.134407  0.682355  1
  P  P239  1  0.239436  0.934188  0.627127  1
  P  P240  1  0.169269  0.568322  0.681736  1
