# generated using pymatgen
data_FeP4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   20.23807283
_cell_length_b   19.87074603
_cell_length_c   47.54382045
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   61.84691392
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeP4
_chemical_formula_sum   'Fe72 P288'
_cell_volume   16857.5074378
_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  0.201838  0.238069  0.281002  1
  Fe  Fe2  1  0.201838  0.738069  0.281002  1
  Fe  Fe3  1  0.673845  0.084928  0.312750  1
  Fe  Fe4  1  0.673845  0.584928  0.312750  1
  Fe  Fe5  1  0.468931  0.826704  0.318519  1
  Fe  Fe6  1  0.468931  0.326704  0.318519  1
  Fe  Fe7  1  0.039377  0.947257  0.293704  1
  Fe  Fe8  1  0.039377  0.447257  0.293704  1
  Fe  Fe9  1  0.307230  0.926919  0.331738  1
  Fe  Fe10  1  0.307230  0.426919  0.331738  1
  Fe  Fe11  1  0.847164  0.768612  0.302317  1
  Fe  Fe12  1  0.847164  0.268612  0.302317  1
  Fe  Fe13  1  0.113551  0.047005  0.348455  1
  Fe  Fe14  1  0.113551  0.547005  0.348455  1
  Fe  Fe15  1  0.571998  0.908660  0.385871  1
  Fe  Fe16  1  0.571998  0.408660  0.385871  1
  Fe  Fe17  1  0.365439  0.637721  0.395139  1
  Fe  Fe18  1  0.365439  0.137721  0.395139  1
  Fe  Fe19  1  0.914833  0.770384  0.356468  1
  Fe  Fe20  1  0.914833  0.270384  0.356468  1
  Fe  Fe21  1  0.199612  0.736149  0.410051  1
  Fe  Fe22  1  0.199612  0.236149  0.410051  1
  Fe  Fe23  1  0.743329  0.585828  0.367936  1
  Fe  Fe24  1  0.743329  0.085828  0.367936  1
  Fe  Fe25  1  0.007362  0.858917  0.427329  1
  Fe  Fe26  1  0.007362  0.358917  0.427329  1
  Fe  Fe27  1  0.466132  0.721360  0.463320  1
  Fe  Fe28  1  0.466132  0.221360  0.463320  1
  Fe  Fe29  1  0.261466  0.450027  0.471853  1
  Fe  Fe30  1  0.261466  0.950027  0.471853  1
  Fe  Fe31  1  0.813091  0.581623  0.438839  1
  Fe  Fe32  1  0.813091  0.081623  0.438839  1
  Fe  Fe33  1  0.094710  0.550488  0.486493  1
  Fe  Fe34  1  0.094710  0.050488  0.486493  1
  Fe  Fe35  1  0.637292  0.398128  0.445899  1
  Fe  Fe36  1  0.637292  0.898128  0.445899  1
  Fe  Fe37  1  0.903361  0.670639  0.504550  1
  Fe  Fe38  1  0.903361  0.170639  0.504550  1
  Fe  Fe39  1  0.360928  0.533547  0.540856  1
  Fe  Fe40  1  0.360928  0.033547  0.540856  1
  Fe  Fe41  1  0.156992  0.262186  0.549096  1
  Fe  Fe42  1  0.156992  0.762186  0.549096  1
  Fe  Fe43  1  0.709209  0.394824  0.515289  1
  Fe  Fe44  1  0.709209  0.894824  0.515289  1
  Fe  Fe45  1  0.990236  0.363137  0.563184  1
  Fe  Fe46  1  0.990236  0.863137  0.563184  1
  Fe  Fe47  1  0.531378  0.211858  0.522985  1
  Fe  Fe48  1  0.531378  0.711858  0.522985  1
  Fe  Fe49  1  0.799468  0.483433  0.582193  1
  Fe  Fe50  1  0.799468  0.983433  0.582193  1
  Fe  Fe51  1  0.257648  0.345706  0.618378  1
  Fe  Fe52  1  0.257648  0.845706  0.618378  1
  Fe  Fe53  1  0.053313  0.073634  0.626759  1
  Fe  Fe54  1  0.053313  0.573634  0.626759  1
  Fe  Fe55  1  0.603957  0.206371  0.592290  1
  Fe  Fe56  1  0.603957  0.706371  0.592290  1
  Fe  Fe57  1  0.886980  0.172565  0.640914  1
  Fe  Fe58  1  0.886980  0.672565  0.640914  1
  Fe  Fe59  1  0.426451  0.024376  0.600481  1
  Fe  Fe60  1  0.426451  0.524376  0.600481  1
  Fe  Fe61  1  0.694121  0.293857  0.659039  1
  Fe  Fe62  1  0.694121  0.793857  0.659039  1
  Fe  Fe63  1  0.148273  0.169603  0.686314  1
  Fe  Fe64  1  0.148273  0.669603  0.686314  1
  Fe  Fe65  1  0.948495  0.886298  0.699689  1
  Fe  Fe66  1  0.948495  0.386298  0.699689  1
  Fe  Fe67  1  0.501907  0.023025  0.668804  1
  Fe  Fe68  1  0.501907  0.523025  0.668804  1
  Fe  Fe69  1  0.787586  0.995499  0.707573  1
  Fe  Fe70  1  0.787586  0.495499  0.707573  1
  Fe  Fe71  1  0.323941  0.835293  0.677348  1
  Fe  Fe72  1  0.323941  0.335293  0.677348  1
  P  P73  1  0.099231  0.228930  0.289605  1
  P  P74  1  0.099231  0.728930  0.289605  1
  P  P75  1  0.537881  0.982823  0.340720  1
  P  P76  1  0.537881  0.482823  0.340720  1
  P  P77  1  0.586786  0.826099  0.301772  1
  P  P78  1  0.586786  0.326099  0.301772  1
  P  P79  1  0.058098  0.880848  0.331893  1
  P  P80  1  0.058098  0.380848  0.331893  1
  P  P81  1  0.089479  0.028688  0.299743  1
  P  P82  1  0.089479  0.528688  0.299743  1
  P  P83  1  0.555777  0.185321  0.324773  1
  P  P84  1  0.555777  0.685321  0.324773  1
  P  P85  1  0.783338  0.215124  0.272402  1
  P  P86  1  0.783338  0.715124  0.272402  1
  P  P87  1  0.216698  0.066195  0.326479  1
  P  P88  1  0.216698  0.566195  0.326479  1
  P  P89  1  0.909624  0.847131  0.314447  1
  P  P90  1  0.909624  0.347131  0.314447  1
  P  P91  1  0.381060  0.794853  0.340947  1
  P  P92  1  0.381060  0.294853  0.340947  1
  P  P93  1  0.864566  0.693446  0.339216  1
  P  P94  1  0.864566  0.193446  0.339216  1
  P  P95  1  0.400571  0.956013  0.309877  1
  P  P96  1  0.400571  0.456013  0.309877  1
  P  P97  1  0.725218  0.164197  0.327377  1
  P  P98  1  0.725218  0.664197  0.327377  1
  P  P99  1  0.288687  0.119056  0.273617  1
  P  P100  1  0.288687  0.619056  0.273617  1
  P  P101  1  0.733327  0.867481  0.309746  1
  P  P102  1  0.733327  0.367481  0.309746  1
  P  P103  1  0.267622  0.906214  0.288388  1
  P  P104  1  0.267622  0.406214  0.288388  1
  P  P105  1  0.952207  0.192826  0.277485  1
  P  P106  1  0.952207  0.692826  0.277485  1
  P  P107  1  0.425249  0.145657  0.301276  1
  P  P108  1  0.425249  0.645657  0.301276  1
  P  P109  1  0.244239  0.767714  0.318192  1
  P  P110  1  0.244239  0.267714  0.318192  1
  P  P111  1  0.777722  0.008785  0.288904  1
  P  P112  1  0.777722  0.508785  0.288904  1
  P  P113  1  0.448396  0.291591  0.274709  1
  P  P114  1  0.448396  0.791591  0.274709  1
  P  P115  1  0.921318  0.043032  0.296816  1
  P  P116  1  0.921318  0.543032  0.296816  1
  P  P117  1  0.131397  0.865800  0.263064  1
  P  P118  1  0.131397  0.365800  0.263064  1
  P  P119  1  0.604432  0.037331  0.284281  1
  P  P120  1  0.604432  0.537331  0.284281  1
  P  P121  1  0.004341  0.040390  0.365827  1
  P  P122  1  0.004341  0.540390  0.365827  1
  P  P123  1  0.432471  0.793186  0.417310  1
  P  P124  1  0.432471  0.293186  0.417310  1
  P  P125  1  0.483303  0.637444  0.379058  1
  P  P126  1  0.483303  0.137444  0.379058  1
  P  P127  1  0.947670  0.697389  0.402977  1
  P  P128  1  0.947670  0.197389  0.402977  1
  P  P129  1  0.979544  0.834873  0.380539  1
  P  P130  1  0.979544  0.334873  0.380539  1
  P  P131  1  0.451874  0.998109  0.402320  1
  P  P132  1  0.451874  0.498109  0.402320  1
  P  P133  1  0.681159  0.015909  0.350232  1
  P  P134  1  0.681159  0.515909  0.350232  1
  P  P135  1  0.109285  0.876820  0.404014  1
  P  P136  1  0.109285  0.376820  0.404014  1
  P  P137  1  0.800280  0.655280  0.394633  1
  P  P138  1  0.800280  0.155280  0.394633  1
  P  P139  1  0.275984  0.605425  0.417518  1
  P  P140  1  0.275984  0.105425  0.417518  1
  P  P141  1  0.760418  0.515233  0.414080  1
  P  P142  1  0.760418  0.015233  0.414080  1
  P  P143  1  0.292495  0.765237  0.390594  1
  P  P144  1  0.292495  0.265237  0.390594  1
  P  P145  1  0.622193  0.977111  0.406293  1
  P  P146  1  0.622193  0.477111  0.406293  1
  P  P147  1  0.193809  0.920494  0.352764  1
  P  P148  1  0.193809  0.420494  0.352764  1
  P  P149  1  0.629549  0.676396  0.387906  1
  P  P150  1  0.629549  0.176396  0.387906  1
  P  P151  1  0.162071  0.718972  0.365973  1
  P  P152  1  0.162071  0.218972  0.365973  1
  P  P153  1  0.859577  0.999674  0.353812  1
  P  P154  1  0.859577  0.499674  0.353812  1
  P  P155  1  0.326931  0.954796  0.377123  1
  P  P156  1  0.326931  0.454796  0.377123  1
  P  P157  1  0.141596  0.574513  0.392252  1
  P  P158  1  0.141596  0.074513  0.392252  1
  P  P159  1  0.677495  0.816162  0.366673  1
  P  P160  1  0.677495  0.316162  0.366673  1
  P  P161  1  0.345074  0.105504  0.351453  1
  P  P162  1  0.345074  0.605504  0.351453  1
  P  P163  1  0.810407  0.861654  0.375552  1
  P  P164  1  0.810407  0.361654  0.375552  1
  P  P165  1  0.033202  0.680270  0.341288  1
  P  P166  1  0.033202  0.180270  0.341288  1
  P  P167  1  0.505907  0.843110  0.363375  1
  P  P168  1  0.505907  0.343110  0.363375  1
  P  P169  1  0.896386  0.852923  0.442818  1
  P  P170  1  0.896386  0.352923  0.442818  1
  P  P171  1  0.327649  0.604672  0.494858  1
  P  P172  1  0.327649  0.104672  0.494858  1
  P  P173  1  0.379527  0.449057  0.455888  1
  P  P174  1  0.379527  0.949057  0.455888  1
  P  P175  1  0.846632  0.507500  0.481286  1
  P  P176  1  0.846632  0.007500  0.481286  1
  P  P177  1  0.878033  0.648547  0.457293  1
  P  P178  1  0.878033  0.148547  0.457293  1
  P  P179  1  0.346823  0.810521  0.478986  1
  P  P180  1  0.346823  0.310521  0.478986  1
  P  P181  1  0.577061  0.831098  0.426434  1
  P  P182  1  0.577061  0.331098  0.426434  1
  P  P183  1  0.004204  0.690746  0.481290  1
  P  P184  1  0.004204  0.190746  0.481290  1
  P  P185  1  0.700055  0.467184  0.470768  1
  P  P186  1  0.700055  0.967184  0.470768  1
  P  P187  1  0.171030  0.418822  0.493950  1
  P  P188  1  0.171030  0.918822  0.493950  1
  P  P189  1  0.655557  0.328247  0.491824  1
  P  P190  1  0.655557  0.828247  0.491824  1
  P  P191  1  0.188797  0.577302  0.467493  1
  P  P192  1  0.188797  0.077302  0.467493  1
  P  P193  1  0.518055  0.789813  0.482858  1
  P  P194  1  0.518055  0.289813  0.482858  1
  P  P195  1  0.088469  0.728110  0.430369  1
  P  P196  1  0.088469  0.228110  0.430369  1
  P  P197  1  0.525882  0.488595  0.465537  1
  P  P198  1  0.525882  0.988595  0.465537  1
  P  P199  1  0.056807  0.534760  0.442412  1
  P  P200  1  0.056807  0.034760  0.442412  1
  P  P201  1  0.753170  0.810706  0.431875  1
  P  P202  1  0.753170  0.310706  0.431875  1
  P  P203  1  0.221403  0.764940  0.454979  1
  P  P204  1  0.221403  0.264940  0.454979  1
  P  P205  1  0.037533  0.386078  0.469524  1
  P  P206  1  0.037533  0.886078  0.469524  1
  P  P207  1  0.571862  0.628629  0.444775  1
  P  P208  1  0.571862  0.128629  0.444775  1
  P  P209  1  0.239733  0.918277  0.428338  1
  P  P210  1  0.239733  0.418277  0.428338  1
  P  P211  1  0.704783  0.674432  0.454387  1
  P  P212  1  0.704783  0.174432  0.454387  1
  P  P213  1  0.929222  0.493026  0.418096  1
  P  P214  1  0.929222  0.993026  0.418096  1
  P  P215  1  0.401168  0.653370  0.441130  1
  P  P216  1  0.401168  0.153370  0.441130  1
  P  P217  1  0.792051  0.664591  0.519428  1
  P  P218  1  0.792051  0.164591  0.519428  1
  P  P219  1  0.223182  0.417563  0.572251  1
  P  P220  1  0.223182  0.917563  0.572251  1
  P  P221  1  0.274695  0.261673  0.532638  1
  P  P222  1  0.274695  0.761673  0.532638  1
  P  P223  1  0.742210  0.319373  0.558267  1
  P  P224  1  0.742210  0.819373  0.558267  1
  P  P225  1  0.773835  0.460343  0.534726  1
  P  P226  1  0.773835  0.960343  0.534726  1
  P  P227  1  0.241927  0.623076  0.556744  1
  P  P228  1  0.241927  0.123076  0.556744  1
  P  P229  1  0.470694  0.644471  0.504092  1
  P  P230  1  0.470694  0.144471  0.504092  1
  P  P231  1  0.899758  0.503271  0.557932  1
  P  P232  1  0.899758  0.003271  0.557932  1
  P  P233  1  0.595301  0.278909  0.547856  1
  P  P234  1  0.595301  0.778909  0.547856  1
  P  P235  1  0.066605  0.231565  0.571791  1
  P  P236  1  0.066605  0.731565  0.571791  1
  P  P237  1  0.550190  0.140535  0.569023  1
  P  P238  1  0.550190  0.640535  0.569023  1
  P  P239  1  0.084950  0.389384  0.544131  1
  P  P240  1  0.084950  0.889384  0.544131  1
  P  P241  1  0.412529  0.602233  0.560420  1
  P  P242  1  0.412529  0.102233  0.560420  1
  P  P243  1  0.985294  0.540588  0.507324  1
  P  P244  1  0.985294  0.040588  0.507324  1
  P  P245  1  0.420841  0.301752  0.542534  1
  P  P246  1  0.420841  0.801752  0.542534  1
  P  P247  1  0.952655  0.346138  0.519864  1
  P  P248  1  0.952655  0.846138  0.519864  1
  P  P249  1  0.647479  0.622298  0.509593  1
  P  P250  1  0.647479  0.122298  0.509593  1
  P  P251  1  0.117116  0.577591  0.532058  1
  P  P252  1  0.117116  0.077591  0.532058  1
  P  P253  1  0.933389  0.197894  0.546866  1
  P  P254  1  0.933389  0.697894  0.546866  1
  P  P255  1  0.466935  0.440945  0.522138  1
  P  P256  1  0.466935  0.940945  0.522138  1
  P  P257  1  0.134985  0.729379  0.505927  1
  P  P258  1  0.134985  0.229379  0.505927  1
  P  P259  1  0.600693  0.486850  0.531076  1
  P  P260  1  0.600693  0.986850  0.531076  1
  P  P261  1  0.824726  0.305072  0.495748  1
  P  P262  1  0.824726  0.805072  0.495748  1
  P  P263  1  0.296315  0.465593  0.518206  1
  P  P264  1  0.296315  0.965593  0.518206  1
  P  P265  1  0.688258  0.475947  0.596418  1
  P  P266  1  0.688258  0.975947  0.596418  1
  P  P267  1  0.116243  0.234474  0.646440  1
  P  P268  1  0.116243  0.734474  0.646440  1
  P  P269  1  0.170739  0.073584  0.610575  1
  P  P270  1  0.170739  0.573584  0.610575  1
  P  P271  1  0.635470  0.131091  0.635135  1
  P  P272  1  0.635470  0.631091  0.635135  1
  P  P273  1  0.669208  0.271677  0.611448  1
  P  P274  1  0.669208  0.771677  0.611448  1
  P  P275  1  0.138542  0.435734  0.634799  1
  P  P276  1  0.138542  0.935734  0.634799  1
  P  P277  1  0.365449  0.457260  0.581565  1
  P  P278  1  0.365449  0.957260  0.581565  1
  P  P279  1  0.795731  0.312247  0.635436  1
  P  P280  1  0.795731  0.812247  0.635436  1
  P  P281  1  0.490651  0.091421  0.625378  1
  P  P282  1  0.490651  0.591421  0.625378  1
  P  P283  1  0.962778  0.043079  0.649590  1
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  P  P360  1  0.087688  0.594744  0.672831  1
