# generated using pymatgen
data_FeP4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   29.87419430
_cell_length_b   21.39603837
_cell_length_c   50.55111175
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   85.85037838
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeP4
_chemical_formula_sum   'Fe144 P576'
_cell_volume   32227.0295551
_cell_formula_units_Z   144
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  0.277071  0.542827  0.265754  1
  Fe  Fe2  1  0.610404  0.209493  0.265754  1
  Fe  Fe3  1  0.592674  0.515039  0.306722  1
  Fe  Fe4  1  0.943737  0.876160  0.265754  1
  Fe  Fe5  1  0.926008  0.181705  0.306722  1
  Fe  Fe6  1  0.911408  0.481058  0.347797  1
  Fe  Fe7  1  0.259341  0.848372  0.306722  1
  Fe  Fe8  1  0.244741  0.147724  0.347797  1
  Fe  Fe9  1  0.578075  0.814391  0.347797  1
  Fe  Fe10  1  0.326833  0.639754  0.358479  1
  Fe  Fe11  1  0.660166  0.306421  0.358479  1
  Fe  Fe12  1  0.693291  0.702813  0.275880  1
  Fe  Fe13  1  0.993500  0.973088  0.358479  1
  Fe  Fe14  1  0.026624  0.369479  0.275880  1
  Fe  Fe15  1  0.009953  0.671428  0.317131  1
  Fe  Fe16  1  0.359958  0.036146  0.275880  1
  Fe  Fe17  1  0.343286  0.338094  0.317131  1
  Fe  Fe18  1  0.676620  0.004761  0.317131  1
  Fe  Fe19  1  0.411408  0.481058  0.347797  1
  Fe  Fe20  1  0.744741  0.147724  0.347797  1
  Fe  Fe21  1  0.777071  0.542827  0.265754  1
  Fe  Fe22  1  0.078075  0.814391  0.347797  1
  Fe  Fe23  1  0.110404  0.209493  0.265754  1
  Fe  Fe24  1  0.092674  0.515039  0.306722  1
  Fe  Fe25  1  0.443737  0.876160  0.265754  1
  Fe  Fe26  1  0.426008  0.181705  0.306722  1
  Fe  Fe27  1  0.759341  0.848372  0.306722  1
  Fe  Fe28  1  0.509953  0.671428  0.317131  1
  Fe  Fe29  1  0.843286  0.338094  0.317131  1
  Fe  Fe30  1  0.826833  0.639754  0.358479  1
  Fe  Fe31  1  0.176620  0.004761  0.317131  1
  Fe  Fe32  1  0.160166  0.306421  0.358479  1
  Fe  Fe33  1  0.193291  0.702813  0.275880  1
  Fe  Fe34  1  0.493500  0.973088  0.358479  1
  Fe  Fe35  1  0.526624  0.369479  0.275880  1
  Fe  Fe36  1  0.859958  0.036146  0.275880  1
  Fe  Fe37  1  0.229116  0.449255  0.389568  1
  Fe  Fe38  1  0.562449  0.115921  0.389568  1
  Fe  Fe39  1  0.546796  0.417403  0.431341  1
  Fe  Fe40  1  0.895783  0.782588  0.389568  1
  Fe  Fe41  1  0.880129  0.084070  0.431341  1
  Fe  Fe42  1  0.864442  0.385504  0.473036  1
  Fe  Fe43  1  0.213463  0.750737  0.431341  1
  Fe  Fe44  1  0.197775  0.052171  0.473036  1
  Fe  Fe45  1  0.531109  0.718838  0.473036  1
  Fe  Fe46  1  0.279536  0.543875  0.483812  1
  Fe  Fe47  1  0.612869  0.210542  0.483812  1
  Fe  Fe48  1  0.644175  0.607561  0.400485  1
  Fe  Fe49  1  0.946202  0.877208  0.483812  1
  Fe  Fe50  1  0.977508  0.274228  0.400485  1
  Fe  Fe51  1  0.961762  0.575736  0.442098  1
  Fe  Fe52  1  0.310841  0.940894  0.400485  1
  Fe  Fe53  1  0.295095  0.242403  0.442098  1
  Fe  Fe54  1  0.628429  0.909070  0.442098  1
  Fe  Fe55  1  0.364442  0.385504  0.473036  1
  Fe  Fe56  1  0.697775  0.052171  0.473036  1
  Fe  Fe57  1  0.729116  0.449255  0.389568  1
  Fe  Fe58  1  0.031109  0.718838  0.473036  1
  Fe  Fe59  1  0.062449  0.115921  0.389568  1
  Fe  Fe60  1  0.046796  0.417403  0.431341  1
  Fe  Fe61  1  0.395783  0.782588  0.389568  1
  Fe  Fe62  1  0.380129  0.084070  0.431341  1
  Fe  Fe63  1  0.713463  0.750737  0.431341  1
  Fe  Fe64  1  0.461762  0.575736  0.442098  1
  Fe  Fe65  1  0.795095  0.242403  0.442098  1
  Fe  Fe66  1  0.779536  0.543875  0.483812  1
  Fe  Fe67  1  0.128429  0.909070  0.442098  1
  Fe  Fe68  1  0.112869  0.210542  0.483812  1
  Fe  Fe69  1  0.144175  0.607561  0.400485  1
  Fe  Fe70  1  0.446202  0.877208  0.483812  1
  Fe  Fe71  1  0.477508  0.274228  0.400485  1
  Fe  Fe72  1  0.810841  0.940894  0.400485  1
  Fe  Fe73  1  0.182100  0.353624  0.514766  1
  Fe  Fe74  1  0.515434  0.020290  0.514766  1
  Fe  Fe75  1  0.499874  0.321762  0.556480  1
  Fe  Fe76  1  0.848767  0.686957  0.514766  1
  Fe  Fe77  1  0.833207  0.988429  0.556480  1
  Fe  Fe78  1  0.817461  0.289938  0.598093  1
  Fe  Fe79  1  0.166541  0.655096  0.556480  1
  Fe  Fe80  1  0.150795  0.956604  0.598093  1
  Fe  Fe81  1  0.484128  0.623271  0.598093  1
  Fe  Fe82  1  0.232520  0.448244  0.609010  1
  Fe  Fe83  1  0.565853  0.114911  0.609010  1
  Fe  Fe84  1  0.597194  0.511995  0.525542  1
  Fe  Fe85  1  0.899187  0.781577  0.609010  1
  Fe  Fe86  1  0.930527  0.178661  0.525542  1
  Fe  Fe87  1  0.914840  0.480095  0.567237  1
  Fe  Fe88  1  0.263861  0.845328  0.525542  1
  Fe  Fe89  1  0.248173  0.146762  0.567237  1
  Fe  Fe90  1  0.581507  0.813429  0.567237  1
  Fe  Fe91  1  0.317461  0.289938  0.598093  1
  Fe  Fe92  1  0.650795  0.956604  0.598093  1
  Fe  Fe93  1  0.682100  0.353624  0.514766  1
  Fe  Fe94  1  0.984128  0.623271  0.598093  1
  Fe  Fe95  1  0.015434  0.020290  0.514766  1
  Fe  Fe96  1  0.999874  0.321762  0.556480  1
  Fe  Fe97  1  0.348767  0.686957  0.514766  1
  Fe  Fe98  1  0.333207  0.988429  0.556480  1
  Fe  Fe99  1  0.666541  0.655096  0.556480  1
  Fe  Fe100  1  0.414840  0.480095  0.567237  1
  Fe  Fe101  1  0.748173  0.146762  0.567237  1
  Fe  Fe102  1  0.732520  0.448244  0.609010  1
  Fe  Fe103  1  0.081507  0.813429  0.567237  1
  Fe  Fe104  1  0.065853  0.114911  0.609010  1
  Fe  Fe105  1  0.097194  0.511995  0.525542  1
  Fe  Fe106  1  0.399187  0.781577  0.609010  1
  Fe  Fe107  1  0.430527  0.178661  0.525542  1
  Fe  Fe108  1  0.763861  0.845328  0.525542  1
  Fe  Fe109  1  0.134803  0.257744  0.640099  1
  Fe  Fe110  1  0.468136  0.924411  0.640099  1
  Fe  Fe111  1  0.451683  0.226071  0.681447  1
  Fe  Fe112  1  0.801470  0.591078  0.640099  1
  Fe  Fe113  1  0.785016  0.892738  0.681447  1
  Fe  Fe114  1  0.768345  0.194686  0.722698  1
  Fe  Fe115  1  0.118350  0.559404  0.681447  1
  Fe  Fe116  1  0.101678  0.861353  0.722698  1
  Fe  Fe117  1  0.435012  0.528019  0.722698  1
  Fe  Fe118  1  0.184565  0.354672  0.732824  1
  Fe  Fe119  1  0.517898  0.021339  0.732824  1
  Fe  Fe120  1  0.550228  0.416441  0.650781  1
  Fe  Fe121  1  0.851232  0.688005  0.732824  1
  Fe  Fe122  1  0.883561  0.083108  0.650781  1
  Fe  Fe123  1  0.868962  0.382460  0.691856  1
  Fe  Fe124  1  0.216895  0.749774  0.650781  1
  Fe  Fe125  1  0.202295  0.049127  0.691856  1
  Fe  Fe126  1  0.535628  0.715793  0.691856  1
  Fe  Fe127  1  0.268345  0.194686  0.722698  1
  Fe  Fe128  1  0.601678  0.861353  0.722698  1
  Fe  Fe129  1  0.634803  0.257744  0.640099  1
  Fe  Fe130  1  0.935012  0.528019  0.722698  1
  Fe  Fe131  1  0.968136  0.924411  0.640099  1
  Fe  Fe132  1  0.951683  0.226071  0.681447  1
  Fe  Fe133  1  0.301470  0.591078  0.640099  1
  Fe  Fe134  1  0.285016  0.892738  0.681447  1
  Fe  Fe135  1  0.618350  0.559404  0.681447  1
  Fe  Fe136  1  0.368962  0.382460  0.691856  1
  Fe  Fe137  1  0.702295  0.049127  0.691856  1
  Fe  Fe138  1  0.684565  0.354672  0.732824  1
  Fe  Fe139  1  0.035628  0.715793  0.691856  1
  Fe  Fe140  1  0.017898  0.021339  0.732824  1
  Fe  Fe141  1  0.050228  0.416441  0.650781  1
  Fe  Fe142  1  0.351232  0.688005  0.732824  1
  Fe  Fe143  1  0.383561  0.083108  0.650781  1
  Fe  Fe144  1  0.716895  0.749774  0.650781  1
  P  P145  1  0.448840  0.556167  0.364253  1
  P  P146  1  0.782173  0.222834  0.364253  1
  P  P147  1  0.813524  0.619484  0.281031  1
  P  P148  1  0.115506  0.889500  0.364253  1
  P  P149  1  0.146857  0.286151  0.281031  1
  P  P150  1  0.131660  0.588361  0.322889  1
  P  P151  1  0.480191  0.952818  0.281031  1
  P  P152  1  0.464993  0.255028  0.322889  1
  P  P153  1  0.798326  0.921695  0.322889  1
  P  P154  1  0.564324  0.540592  0.268095  1
  P  P155  1  0.897658  0.207259  0.268095  1
  P  P156  1  0.881447  0.509692  0.310108  1
  P  P157  1  0.230991  0.873926  0.268095  1
  P  P158  1  0.214781  0.176358  0.310108  1
  P  P159  1  0.198672  0.478033  0.351956  1
  P  P160  1  0.548114  0.843025  0.310108  1
  P  P161  1  0.532005  0.144700  0.351956  1
  P  P162  1  0.865338  0.811366  0.351956  1
  P  P163  1  0.296401  0.420458  0.322393  1
  P  P164  1  0.629735  0.087124  0.322393  1
  P  P165  1  0.614083  0.389555  0.364150  1
  P  P166  1  0.963068  0.753791  0.322393  1
  P  P167  1  0.947416  0.056221  0.364150  1
  P  P168  1  0.978510  0.450848  0.280572  1
  P  P169  1  0.280749  0.722888  0.364150  1
  P  P170  1  0.311844  0.117515  0.280572  1
  P  P171  1  0.645177  0.784181  0.280572  1
  P  P172  1  0.198783  0.627940  0.374097  1
  P  P173  1  0.532117  0.294607  0.374097  1
  P  P174  1  0.563433  0.691064  0.289521  1
  P  P175  1  0.865450  0.961274  0.374097  1
  P  P176  1  0.896767  0.357731  0.289521  1
  P  P177  1  0.880717  0.660389  0.331479  1
  P  P178  1  0.230100  0.024397  0.289521  1
  P  P179  1  0.214050  0.327055  0.331479  1
  P  P180  1  0.547383  0.993722  0.331479  1
  P  P181  1  0.289202  0.564303  0.342444  1
  P  P182  1  0.622535  0.230969  0.342444  1
  P  P183  1  0.656386  0.626445  0.259587  1
  P  P184  1  0.955869  0.897636  0.342444  1
  P  P185  1  0.989720  0.293111  0.259587  1
  P  P186  1  0.971387  0.597490  0.300504  1
  P  P187  1  0.323053  0.959778  0.259587  1
  P  P188  1  0.304721  0.264157  0.300504  1
  P  P189  1  0.638054  0.930823  0.300504  1
  P  P190  1  0.488859  0.792369  0.259210  1
  P  P191  1  0.822192  0.459036  0.259210  1
  P  P192  1  0.804756  0.764326  0.300668  1
  P  P193  1  0.155526  0.125703  0.259210  1
  P  P194  1  0.138089  0.430993  0.300668  1
  P  P195  1  0.123814  0.730953  0.342426  1
  P  P196  1  0.471423  0.097659  0.300668  1
  P  P197  1  0.457147  0.397619  0.342426  1
  P  P198  1  0.790480  0.064286  0.342426  1
  P  P199  1  0.221726  0.673743  0.313625  1
  P  P200  1  0.555059  0.340409  0.313625  1
  P  P201  1  0.539213  0.642642  0.354916  1
  P  P202  1  0.888392  0.007076  0.313625  1
  P  P203  1  0.872547  0.309309  0.354916  1
  P  P204  1  0.903548  0.706525  0.271578  1
  P  P205  1  0.205880  0.975975  0.354916  1
  P  P206  1  0.236881  0.373192  0.271578  1
  P  P207  1  0.570215  0.039858  0.271578  1
  P  P208  1  0.538597  0.492599  0.332883  1
  P  P209  1  0.871931  0.159266  0.332883  1
  P  P210  1  0.903838  0.558740  0.251771  1
  P  P211  1  0.205264  0.825932  0.332883  1
  P  P212  1  0.237172  0.225406  0.251771  1
  P  P213  1  0.221753  0.522771  0.291418  1
  P  P214  1  0.570505  0.892073  0.251771  1
  P  P215  1  0.555087  0.189437  0.291418  1
  P  P216  1  0.888420  0.856104  0.291418  1
  P  P217  1  0.313524  0.619484  0.281031  1
  P  P218  1  0.646857  0.286151  0.281031  1
  P  P219  1  0.631660  0.588361  0.322889  1
  P  P220  1  0.980191  0.952818  0.281031  1
  P  P221  1  0.964993  0.255028  0.322889  1
  P  P222  1  0.948840  0.556167  0.364253  1
  P  P223  1  0.298326  0.921695  0.322889  1
  P  P224  1  0.282173  0.222834  0.364253  1
  P  P225  1  0.615506  0.889500  0.364253  1
  P  P226  1  0.381447  0.509692  0.310108  1
  P  P227  1  0.714781  0.176358  0.310108  1
  P  P228  1  0.698672  0.478033  0.351956  1
  P  P229  1  0.048114  0.843025  0.310108  1
  P  P230  1  0.032005  0.144700  0.351956  1
  P  P231  1  0.064324  0.540592  0.268095  1
  P  P232  1  0.365338  0.811366  0.351956  1
  P  P233  1  0.397658  0.207259  0.268095  1
  P  P234  1  0.730991  0.873926  0.268095  1
  P  P235  1  0.478510  0.450848  0.280572  1
  P  P236  1  0.811844  0.117515  0.280572  1
  P  P237  1  0.796401  0.420458  0.322393  1
  P  P238  1  0.145177  0.784181  0.280572  1
  P  P239  1  0.129735  0.087124  0.322393  1
  P  P240  1  0.114083  0.389555  0.364150  1
  P  P241  1  0.463068  0.753791  0.322393  1
  P  P242  1  0.447416  0.056221  0.364150  1
  P  P243  1  0.780749  0.722888  0.364150  1
  P  P244  1  0.380717  0.660389  0.331479  1
  P  P245  1  0.714050  0.327055  0.331479  1
  P  P246  1  0.698783  0.627940  0.374097  1
  P  P247  1  0.047383  0.993722  0.331479  1
  P  P248  1  0.032117  0.294607  0.374097  1
  P  P249  1  0.063433  0.691064  0.289521  1
  P  P250  1  0.365450  0.961274  0.374097  1
  P  P251  1  0.396767  0.357731  0.289521  1
  P  P252  1  0.730100  0.024397  0.289521  1
  P  P253  1  0.471387  0.597490  0.300504  1
  P  P254  1  0.804721  0.264157  0.300504  1
  P  P255  1  0.789202  0.564303  0.342444  1
  P  P256  1  0.138054  0.930823  0.300504  1
  P  P257  1  0.122535  0.230969  0.342444  1
  P  P258  1  0.156386  0.626445  0.259587  1
  P  P259  1  0.455869  0.897636  0.342444  1
  P  P260  1  0.489720  0.293111  0.259587  1
  P  P261  1  0.823053  0.959778  0.259587  1
  P  P262  1  0.304756  0.764326  0.300668  1
  P  P263  1  0.638089  0.430993  0.300668  1
  P  P264  1  0.623814  0.730953  0.342426  1
  P  P265  1  0.971423  0.097659  0.300668  1
  P  P266  1  0.957147  0.397619  0.342426  1
  P  P267  1  0.988859  0.792369  0.259210  1
  P  P268  1  0.290480  0.064286  0.342426  1
  P  P269  1  0.322192  0.459036  0.259210  1
  P  P270  1  0.655526  0.125703  0.259210  1
  P  P271  1  0.403548  0.706525  0.271578  1
  P  P272  1  0.736881  0.373192  0.271578  1
  P  P273  1  0.721726  0.673743  0.313625  1
  P  P274  1  0.070215  0.039858  0.271578  1
  P  P275  1  0.055059  0.340409  0.313625  1
  P  P276  1  0.039213  0.642642  0.354916  1
  P  P277  1  0.388392  0.007076  0.313625  1
  P  P278  1  0.372547  0.309309  0.354916  1
  P  P279  1  0.705880  0.975975  0.354916  1
  P  P280  1  0.403838  0.558740  0.251771  1
  P  P281  1  0.737172  0.225406  0.251771  1
  P  P282  1  0.721753  0.522771  0.291418  1
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