# generated using pymatgen
data_FeP4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.33133321
_cell_length_b   41.25785728
_cell_length_c   46.75982328
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   89.84135419
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeP4
_chemical_formula_sum   'Fe72 P288'
_cell_volume   18002.0334059
_cell_formula_units_Z   72
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  0.644481  0.487804  0.300556  1
  Fe  Fe2  1  0.647476  0.134112  0.388641  1
  Fe  Fe3  1  0.639985  0.811844  0.340817  1
  Fe  Fe4  1  0.146611  0.551218  0.375237  1
  Fe  Fe5  1  0.145095  0.226321  0.328981  1
  Fe  Fe6  1  0.147529  0.875917  0.423996  1
  Fe  Fe7  1  0.878792  0.516292  0.333304  1
  Fe  Fe8  1  0.868888  0.165443  0.427084  1
  Fe  Fe9  1  0.872133  0.841452  0.377808  1
  Fe  Fe10  1  0.367949  0.507664  0.403391  1
  Fe  Fe11  1  0.371712  0.183326  0.355423  1
  Fe  Fe12  1  0.400646  0.852231  0.317424  1
  Fe  Fe13  1  0.639985  0.311844  0.340817  1
  Fe  Fe14  1  0.644481  0.987804  0.300556  1
  Fe  Fe15  1  0.647476  0.634112  0.388641  1
  Fe  Fe16  1  0.147529  0.375917  0.423996  1
  Fe  Fe17  1  0.146611  0.051218  0.375237  1
  Fe  Fe18  1  0.145095  0.726321  0.328981  1
  Fe  Fe19  1  0.872133  0.341452  0.377808  1
  Fe  Fe20  1  0.878792  0.016292  0.333304  1
  Fe  Fe21  1  0.868888  0.665443  0.427084  1
  Fe  Fe22  1  0.400646  0.352231  0.317424  1
  Fe  Fe23  1  0.367949  0.007664  0.403391  1
  Fe  Fe24  1  0.371712  0.683326  0.355423  1
  Fe  Fe25  1  0.646529  0.458305  0.436344  1
  Fe  Fe26  1  0.642019  0.107148  0.532168  1
  Fe  Fe27  1  0.643735  0.782701  0.484130  1
  Fe  Fe28  1  0.141231  0.524624  0.519768  1
  Fe  Fe29  1  0.144333  0.200236  0.472141  1
  Fe  Fe30  1  0.140507  0.848959  0.567437  1
  Fe  Fe31  1  0.867125  0.489834  0.474814  1
  Fe  Fe32  1  0.861658  0.138760  0.571244  1
  Fe  Fe33  1  0.865516  0.814137  0.522331  1
  Fe  Fe34  1  0.362950  0.480781  0.546963  1
  Fe  Fe35  1  0.366102  0.156457  0.499430  1
  Fe  Fe36  1  0.368773  0.832134  0.451397  1
  Fe  Fe37  1  0.643735  0.282701  0.484130  1
  Fe  Fe38  1  0.646529  0.958305  0.436344  1
  Fe  Fe39  1  0.642019  0.607148  0.532168  1
  Fe  Fe40  1  0.140507  0.348959  0.567437  1
  Fe  Fe41  1  0.141231  0.024624  0.519768  1
  Fe  Fe42  1  0.144333  0.700236  0.472141  1
  Fe  Fe43  1  0.865516  0.314137  0.522331  1
  Fe  Fe44  1  0.867125  0.989834  0.474814  1
  Fe  Fe45  1  0.861658  0.638760  0.571244  1
  Fe  Fe46  1  0.368773  0.332134  0.451397  1
  Fe  Fe47  1  0.362950  0.980781  0.546963  1
  Fe  Fe48  1  0.366102  0.656457  0.499430  1
  Fe  Fe49  1  0.639906  0.431425  0.579690  1
  Fe  Fe50  1  0.615822  0.073954  0.670127  1
  Fe  Fe51  1  0.640864  0.756179  0.629338  1
  Fe  Fe52  1  0.131819  0.496742  0.661952  1
  Fe  Fe53  1  0.135625  0.173434  0.615643  1
  Fe  Fe54  1  0.111486  0.820421  0.699886  1
  Fe  Fe55  1  0.858763  0.463216  0.618570  1
  Fe  Fe56  1  0.743549  0.122215  0.683682  1
  Fe  Fe57  1  0.870750  0.790405  0.666298  1
  Fe  Fe58  1  0.358765  0.453554  0.683662  1
  Fe  Fe59  1  0.354720  0.130578  0.641637  1
  Fe  Fe60  1  0.363507  0.805096  0.594261  1
  Fe  Fe61  1  0.640864  0.256179  0.629338  1
  Fe  Fe62  1  0.639906  0.931425  0.579690  1
  Fe  Fe63  1  0.615822  0.573954  0.670127  1
  Fe  Fe64  1  0.111486  0.320421  0.699886  1
  Fe  Fe65  1  0.131819  0.996742  0.661952  1
  Fe  Fe66  1  0.135625  0.673434  0.615643  1
  Fe  Fe67  1  0.870750  0.290405  0.666298  1
  Fe  Fe68  1  0.858763  0.963216  0.618570  1
  Fe  Fe69  1  0.743549  0.622215  0.683682  1
  Fe  Fe70  1  0.363507  0.305096  0.594261  1
  Fe  Fe71  1  0.358765  0.953554  0.683662  1
  Fe  Fe72  1  0.354720  0.630578  0.641637  1
  P  P73  1  0.889833  0.471469  0.362444  1
  P  P74  1  0.886101  0.147659  0.315798  1
  P  P75  1  0.882204  0.796516  0.409560  1
  P  P76  1  0.390824  0.565488  0.304779  1
  P  P77  1  0.382422  0.215009  0.397638  1
  P  P78  1  0.389137  0.890576  0.351312  1
  P  P79  1  0.883826  0.552991  0.374781  1
  P  P80  1  0.885092  0.229061  0.325953  1
  P  P81  1  0.881798  0.877168  0.421676  1
  P  P82  1  0.390432  0.555167  0.375330  1
  P  P83  1  0.397696  0.228736  0.326041  1
  P  P84  1  0.392944  0.878955  0.422657  1
  P  P85  1  0.882680  0.564094  0.304199  1
  P  P86  1  0.883966  0.213491  0.399441  1
  P  P87  1  0.888359  0.889051  0.350363  1
  P  P88  1  0.136022  0.598326  0.343708  1
  P  P89  1  0.148960  0.273763  0.296615  1
  P  P90  1  0.136429  0.922747  0.392007  1
  P  P91  1  0.634672  0.278048  0.297278  1
  P  P92  1  0.638771  0.926093  0.392345  1
  P  P93  1  0.637863  0.602186  0.344786  1
  P  P94  1  0.404398  0.485991  0.289813  1
  P  P95  1  0.380862  0.133882  0.386207  1
  P  P96  1  0.380790  0.805996  0.340937  1
  P  P97  1  0.637744  0.505199  0.405522  1
  P  P98  1  0.639741  0.181197  0.357847  1
  P  P99  1  0.639765  0.857043  0.307908  1
  P  P100  1  0.640426  0.262848  0.368495  1
  P  P101  1  0.638225  0.937753  0.320604  1
  P  P102  1  0.633148  0.586845  0.417058  1
  P  P103  1  0.383388  0.472335  0.363484  1
  P  P104  1  0.385320  0.147592  0.315971  1
  P  P105  1  0.384744  0.796688  0.411720  1
  P  P106  1  0.133137  0.585809  0.416838  1
  P  P107  1  0.130676  0.260822  0.368925  1
  P  P108  1  0.139796  0.937959  0.320996  1
  P  P109  1  0.142669  0.517948  0.332258  1
  P  P110  1  0.137844  0.194184  0.286737  1
  P  P111  1  0.138420  0.842876  0.381064  1
  P  P112  1  0.885633  0.484505  0.289445  1
  P  P113  1  0.893342  0.131633  0.386478  1
  P  P114  1  0.897586  0.808941  0.336391  1
  P  P115  1  0.626274  0.520976  0.336880  1
  P  P116  1  0.637597  0.193483  0.288069  1
  P  P117  1  0.627913  0.843642  0.382045  1
  P  P118  1  0.121989  0.504759  0.404786  1
  P  P119  1  0.123748  0.179952  0.357800  1
  P  P120  1  0.154338  0.857016  0.308272  1
  P  P121  1  0.882204  0.296516  0.409560  1
  P  P122  1  0.889833  0.971469  0.362444  1
  P  P123  1  0.886101  0.647659  0.315798  1
  P  P124  1  0.389137  0.390576  0.351312  1
  P  P125  1  0.390824  0.065488  0.304779  1
  P  P126  1  0.382422  0.715009  0.397638  1
  P  P127  1  0.881798  0.377168  0.421676  1
  P  P128  1  0.883826  0.052991  0.374781  1
  P  P129  1  0.885092  0.729061  0.325953  1
  P  P130  1  0.392944  0.378955  0.422657  1
  P  P131  1  0.390432  0.055167  0.375330  1
  P  P132  1  0.397696  0.728736  0.326041  1
  P  P133  1  0.888359  0.389051  0.350363  1
  P  P134  1  0.882680  0.064094  0.304199  1
  P  P135  1  0.883966  0.713491  0.399441  1
  P  P136  1  0.136429  0.422747  0.392007  1
  P  P137  1  0.136022  0.098326  0.343708  1
  P  P138  1  0.148960  0.773763  0.296615  1
  P  P139  1  0.638771  0.426093  0.392345  1
  P  P140  1  0.637863  0.102186  0.344786  1
  P  P141  1  0.634672  0.778048  0.297278  1
  P  P142  1  0.380790  0.305996  0.340937  1
  P  P143  1  0.404398  0.985991  0.289813  1
  P  P144  1  0.380862  0.633882  0.386207  1
  P  P145  1  0.639765  0.357043  0.307908  1
  P  P146  1  0.637744  0.005199  0.405522  1
  P  P147  1  0.639741  0.681197  0.357847  1
  P  P148  1  0.638225  0.437753  0.320604  1
  P  P149  1  0.633148  0.086845  0.417058  1
  P  P150  1  0.640426  0.762848  0.368495  1
  P  P151  1  0.384744  0.296688  0.411720  1
  P  P152  1  0.383388  0.972335  0.363484  1
  P  P153  1  0.385320  0.647592  0.315971  1
  P  P154  1  0.139796  0.437959  0.320996  1
  P  P155  1  0.133137  0.085809  0.416838  1
  P  P156  1  0.130676  0.760822  0.368925  1
  P  P157  1  0.138420  0.342876  0.381064  1
  P  P158  1  0.142669  0.017948  0.332258  1
  P  P159  1  0.137844  0.694184  0.286737  1
  P  P160  1  0.897586  0.308941  0.336391  1
  P  P161  1  0.885633  0.984505  0.289445  1
  P  P162  1  0.893342  0.631633  0.386478  1
  P  P163  1  0.627913  0.343642  0.382045  1
  P  P164  1  0.626274  0.020976  0.336880  1
  P  P165  1  0.637597  0.693483  0.288069  1
  P  P166  1  0.154338  0.357016  0.308272  1
  P  P167  1  0.121989  0.004759  0.404786  1
  P  P168  1  0.123748  0.679952  0.357800  1
  P  P169  1  0.876459  0.444989  0.505819  1
  P  P170  1  0.878751  0.120643  0.458122  1
  P  P171  1  0.874914  0.769353  0.553552  1
  P  P172  1  0.378658  0.538792  0.445879  1
  P  P173  1  0.375141  0.187597  0.541829  1
  P  P174  1  0.377944  0.863164  0.493630  1
  P  P175  1  0.875561  0.525737  0.517806  1
  P  P176  1  0.878051  0.201278  0.470154  1
  P  P177  1  0.873507  0.850018  0.565229  1
  P  P178  1  0.387184  0.527789  0.518693  1
  P  P179  1  0.390055  0.203382  0.470799  1
  P  P180  1  0.386506  0.852132  0.566465  1
  P  P181  1  0.882706  0.537996  0.447336  1
  P  P182  1  0.878488  0.186659  0.543511  1
  P  P183  1  0.881182  0.862385  0.494801  1
  P  P184  1  0.131303  0.571749  0.488440  1
  P  P185  1  0.133885  0.247219  0.440424  1
  P  P186  1  0.130089  0.895978  0.536145  1
  P  P187  1  0.634643  0.249892  0.440639  1
  P  P188  1  0.629466  0.898571  0.536361  1
  P  P189  1  0.631438  0.574208  0.488792  1
  P  P190  1  0.379906  0.457975  0.433839  1
  P  P191  1  0.374872  0.106858  0.529997  1
  P  P192  1  0.377964  0.782402  0.481884  1
  P  P193  1  0.631408  0.478588  0.548765  1
  P  P194  1  0.634032  0.154067  0.501044  1
  P  P195  1  0.636946  0.829692  0.453089  1
  P  P196  1  0.629987  0.235511  0.512985  1
  P  P197  1  0.632130  0.911196  0.464694  1
  P  P198  1  0.627540  0.560088  0.560840  1
  P  P199  1  0.380553  0.445395  0.507112  1
  P  P200  1  0.381894  0.120951  0.459569  1
  P  P201  1  0.378895  0.769569  0.554849  1
  P  P202  1  0.125611  0.558692  0.560778  1
  P  P203  1  0.128998  0.234338  0.512848  1
  P  P204  1  0.132049  0.910028  0.464693  1
  P  P205  1  0.135147  0.491630  0.476791  1
  P  P206  1  0.137325  0.167317  0.429291  1
  P  P207  1  0.133427  0.816012  0.524404  1
  P  P208  1  0.892643  0.456031  0.434301  1
  P  P209  1  0.886920  0.104782  0.530437  1
  P  P210  1  0.889614  0.780325  0.481900  1
  P  P211  1  0.618404  0.492412  0.476825  1
  P  P212  1  0.620012  0.168014  0.429135  1
  P  P213  1  0.616862  0.816772  0.524525  1
  P  P214  1  0.114904  0.477438  0.547909  1
  P  P215  1  0.117276  0.153323  0.500743  1
  P  P216  1  0.120213  0.828944  0.452514  1
  P  P217  1  0.874914  0.269353  0.553552  1
  P  P218  1  0.876459  0.944989  0.505819  1
  P  P219  1  0.878751  0.620643  0.458122  1
  P  P220  1  0.377944  0.363164  0.493630  1
  P  P221  1  0.378658  0.038792  0.445879  1
  P  P222  1  0.375141  0.687597  0.541829  1
  P  P223  1  0.873507  0.350018  0.565229  1
  P  P224  1  0.875561  0.025737  0.517806  1
  P  P225  1  0.878051  0.701278  0.470154  1
  P  P226  1  0.386506  0.352132  0.566465  1
  P  P227  1  0.387184  0.027789  0.518693  1
  P  P228  1  0.390055  0.703382  0.470799  1
  P  P229  1  0.881182  0.362385  0.494801  1
  P  P230  1  0.882706  0.037996  0.447336  1
  P  P231  1  0.878488  0.686659  0.543511  1
  P  P232  1  0.130089  0.395978  0.536145  1
  P  P233  1  0.131303  0.071749  0.488440  1
  P  P234  1  0.133885  0.747219  0.440424  1
  P  P235  1  0.629466  0.398571  0.536361  1
  P  P236  1  0.631438  0.074208  0.488792  1
  P  P237  1  0.634643  0.749892  0.440639  1
  P  P238  1  0.377964  0.282402  0.481884  1
  P  P239  1  0.379906  0.957975  0.433839  1
  P  P240  1  0.374872  0.606858  0.529997  1
  P  P241  1  0.636946  0.329692  0.453089  1
  P  P242  1  0.631408  0.978588  0.548765  1
  P  P243  1  0.634032  0.654067  0.501044  1
  P  P244  1  0.632130  0.411196  0.464694  1
  P  P245  1  0.627540  0.060088  0.560840  1
  P  P246  1  0.629987  0.735511  0.512985  1
  P  P247  1  0.378895  0.269569  0.554849  1
  P  P248  1  0.380553  0.945395  0.507112  1
  P  P249  1  0.381894  0.620951  0.459569  1
  P  P250  1  0.132049  0.410028  0.464693  1
  P  P251  1  0.125611  0.058692  0.560778  1
  P  P252  1  0.128998  0.734338  0.512848  1
  P  P253  1  0.133427  0.316012  0.524404  1
  P  P254  1  0.135147  0.991630  0.476791  1
  P  P255  1  0.137325  0.667317  0.429291  1
  P  P256  1  0.889614  0.280325  0.481900  1
  P  P257  1  0.892643  0.956031  0.434301  1
  P  P258  1  0.886920  0.604782  0.530437  1
  P  P259  1  0.616862  0.316772  0.524525  1
  P  P260  1  0.618404  0.992412  0.476825  1
  P  P261  1  0.620012  0.668014  0.429135  1
  P  P262  1  0.120213  0.328944  0.452514  1
  P  P263  1  0.114904  0.977438  0.547909  1
  P  P264  1  0.117276  0.653323  0.500743  1
  P  P265  1  0.869128  0.418570  0.650229  1
  P  P266  1  0.872772  0.093976  0.602776  1
  P  P267  1  0.877656  0.744978  0.697858  1
  P  P268  1  0.369949  0.511539  0.589483  1
  P  P269  1  0.370212  0.160473  0.685111  1
  P  P270  1  0.375280  0.835796  0.637190  1
  P  P271  1  0.868737  0.497635  0.663077  1
  P  P272  1  0.870895  0.174070  0.615003  1
  P  P273  1  0.872968  0.824167  0.710579  1
  P  P274  1  0.379296  0.500803  0.660432  1
  P  P275  1  0.384889  0.176928  0.614533  1
  P  P276  1  0.351475  0.822322  0.711318  1
  P  P277  1  0.878797  0.510817  0.590655  1
  P  P278  1  0.890690  0.162932  0.688757  1
  P  P279  1  0.868780  0.836393  0.637996  1
  P  P280  1  0.120584  0.544814  0.632999  1
  P  P281  1  0.127187  0.220565  0.584599  1
  P  P282  1  0.121141  0.870363  0.679799  1
  P  P283  1  0.630339  0.222661  0.585008  1
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