# generated using pymatgen
data_FeP4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   36.94295926
_cell_length_b   24.48620043
_cell_length_c   49.76202832
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   71.92690763
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeP4
_chemical_formula_sum   'Fe180 P720'
_cell_volume   42793.4277195
_cell_formula_units_Z   180
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  0.998718  0.828070  0.306860  1
  Fe  Fe2  1  0.998718  0.494737  0.306860  1
  Fe  Fe3  1  0.528457  0.887589  0.350878  1
  Fe  Fe4  1  0.998718  0.161404  0.306860  1
  Fe  Fe5  1  0.528457  0.554255  0.350878  1
  Fe  Fe6  1  0.528457  0.220922  0.350878  1
  Fe  Fe7  1  0.756140  0.866273  0.313591  1
  Fe  Fe8  1  0.756140  0.532940  0.313591  1
  Fe  Fe9  1  0.284847  0.936582  0.360060  1
  Fe  Fe10  1  0.756140  0.199606  0.313591  1
  Fe  Fe11  1  0.284847  0.603249  0.360060  1
  Fe  Fe12  1  0.284847  0.269916  0.360060  1
  Fe  Fe13  1  0.177597  0.073973  0.338635  1
  Fe  Fe14  1  0.177597  0.740640  0.338635  1
  Fe  Fe15  1  0.646688  0.006544  0.298581  1
  Fe  Fe16  1  0.177597  0.407306  0.338635  1
  Fe  Fe17  1  0.646688  0.673211  0.298581  1
  Fe  Fe18  1  0.646688  0.339877  0.298581  1
  Fe  Fe19  1  0.883418  0.977912  0.291682  1
  Fe  Fe20  1  0.883418  0.644579  0.291682  1
  Fe  Fe21  1  0.421126  0.029984  0.332588  1
  Fe  Fe22  1  0.883418  0.311246  0.291682  1
  Fe  Fe23  1  0.421126  0.696651  0.332588  1
  Fe  Fe24  1  0.421126  0.363318  0.332588  1
  Fe  Fe25  1  0.054526  0.883908  0.286742  1
  Fe  Fe26  1  0.054526  0.550575  0.286742  1
  Fe  Fe27  1  0.591431  0.952980  0.323303  1
  Fe  Fe28  1  0.054526  0.217241  0.286742  1
  Fe  Fe29  1  0.591431  0.619647  0.323303  1
  Fe  Fe30  1  0.591431  0.286313  0.323303  1
  Fe  Fe31  1  0.822299  0.086236  0.303607  1
  Fe  Fe32  1  0.822299  0.752902  0.303607  1
  Fe  Fe33  1  0.358968  0.137840  0.346208  1
  Fe  Fe34  1  0.822299  0.419569  0.303607  1
  Fe  Fe35  1  0.358968  0.804506  0.346208  1
  Fe  Fe36  1  0.358968  0.471173  0.346208  1
  Fe  Fe37  1  0.059442  0.950531  0.397343  1
  Fe  Fe38  1  0.059442  0.617198  0.397343  1
  Fe  Fe39  1  0.590572  0.012559  0.444062  1
  Fe  Fe40  1  0.059442  0.283864  0.397343  1
  Fe  Fe41  1  0.590572  0.679226  0.444062  1
  Fe  Fe42  1  0.590572  0.345892  0.444062  1
  Fe  Fe43  1  0.818255  0.996264  0.406186  1
  Fe  Fe44  1  0.818255  0.662931  0.406186  1
  Fe  Fe45  1  0.349076  0.058020  0.451723  1
  Fe  Fe46  1  0.818255  0.329598  0.406186  1
  Fe  Fe47  1  0.349076  0.724687  0.451723  1
  Fe  Fe48  1  0.349076  0.391354  0.451723  1
  Fe  Fe49  1  0.239714  0.199352  0.432250  1
  Fe  Fe50  1  0.239714  0.866018  0.432250  1
  Fe  Fe51  1  0.708634  0.135100  0.386424  1
  Fe  Fe52  1  0.239714  0.532685  0.432250  1
  Fe  Fe53  1  0.708634  0.801766  0.386424  1
  Fe  Fe54  1  0.708634  0.468433  0.386424  1
  Fe  Fe55  1  0.954708  0.086824  0.376926  1
  Fe  Fe56  1  0.954708  0.753491  0.376926  1
  Fe  Fe57  1  0.486091  0.149819  0.423243  1
  Fe  Fe58  1  0.954708  0.420157  0.376926  1
  Fe  Fe59  1  0.486091  0.816486  0.423243  1
  Fe  Fe60  1  0.486091  0.483153  0.423243  1
  Fe  Fe61  1  0.121837  0.018475  0.366711  1
  Fe  Fe62  1  0.121837  0.685142  0.366711  1
  Fe  Fe63  1  0.652639  0.079583  0.412273  1
  Fe  Fe64  1  0.121837  0.351808  0.366711  1
  Fe  Fe65  1  0.652639  0.746250  0.412273  1
  Fe  Fe66  1  0.652639  0.412917  0.412273  1
  Fe  Fe67  1  0.881902  0.219469  0.392069  1
  Fe  Fe68  1  0.881902  0.886135  0.392069  1
  Fe  Fe69  1  0.412749  0.280868  0.437915  1
  Fe  Fe70  1  0.881902  0.552802  0.392069  1
  Fe  Fe71  1  0.412749  0.947534  0.437915  1
  Fe  Fe72  1  0.412749  0.614201  0.437915  1
  Fe  Fe73  1  0.121659  0.077252  0.490024  1
  Fe  Fe74  1  0.121659  0.743918  0.490024  1
  Fe  Fe75  1  0.652560  0.140069  0.536016  1
  Fe  Fe76  1  0.121659  0.410585  0.490024  1
  Fe  Fe77  1  0.652560  0.806736  0.536016  1
  Fe  Fe78  1  0.652560  0.473403  0.536016  1
  Fe  Fe79  1  0.880276  0.123548  0.497607  1
  Fe  Fe80  1  0.880276  0.790214  0.497607  1
  Fe  Fe81  1  0.411111  0.185724  0.543721  1
  Fe  Fe82  1  0.880276  0.456881  0.497607  1
  Fe  Fe83  1  0.411111  0.852390  0.543721  1
  Fe  Fe84  1  0.411111  0.519057  0.543721  1
  Fe  Fe85  1  0.301361  0.325429  0.524571  1
  Fe  Fe86  1  0.301361  0.992096  0.524571  1
  Fe  Fe87  1  0.770400  0.262856  0.478673  1
  Fe  Fe88  1  0.301361  0.658763  0.524571  1
  Fe  Fe89  1  0.770400  0.929523  0.478673  1
  Fe  Fe90  1  0.770400  0.596189  0.478673  1
  Fe  Fe91  1  0.017365  0.214624  0.469084  1
  Fe  Fe92  1  0.017365  0.881291  0.469084  1
  Fe  Fe93  1  0.548068  0.277123  0.514772  1
  Fe  Fe94  1  0.017365  0.547957  0.469084  1
  Fe  Fe95  1  0.548068  0.943790  0.514772  1
  Fe  Fe96  1  0.548068  0.610457  0.514772  1
  Fe  Fe97  1  0.183237  0.144364  0.458732  1
  Fe  Fe98  1  0.183237  0.811031  0.458732  1
  Fe  Fe99  1  0.714359  0.207785  0.504383  1
  Fe  Fe100  1  0.183237  0.477698  0.458732  1
  Fe  Fe101  1  0.714359  0.874452  0.504383  1
  Fe  Fe102  1  0.714359  0.541119  0.504383  1
  Fe  Fe103  1  0.943793  0.345983  0.483271  1
  Fe  Fe104  1  0.943793  0.012650  0.483271  1
  Fe  Fe105  1  0.474652  0.408019  0.529123  1
  Fe  Fe106  1  0.943793  0.679317  0.483271  1
  Fe  Fe107  1  0.474652  0.074686  0.529123  1
  Fe  Fe108  1  0.474652  0.741353  0.529123  1
  Fe  Fe109  1  0.183315  0.203443  0.582655  1
  Fe  Fe110  1  0.183315  0.870110  0.582655  1
  Fe  Fe111  1  0.713174  0.266640  0.629117  1
  Fe  Fe112  1  0.183315  0.536776  0.582655  1
  Fe  Fe113  1  0.713174  0.933307  0.629117  1
  Fe  Fe114  1  0.713174  0.599974  0.629117  1
  Fe  Fe115  1  0.941981  0.251900  0.589377  1
  Fe  Fe116  1  0.941981  0.918567  0.589377  1
  Fe  Fe117  1  0.473950  0.313445  0.635114  1
  Fe  Fe118  1  0.941981  0.585233  0.589377  1
  Fe  Fe119  1  0.473950  0.980112  0.635114  1
  Fe  Fe120  1  0.473950  0.646778  0.635114  1
  Fe  Fe121  1  0.363121  0.452318  0.615844  1
  Fe  Fe122  1  0.363121  0.118985  0.615844  1
  Fe  Fe123  1  0.832540  0.390844  0.569777  1
  Fe  Fe124  1  0.363121  0.785651  0.615844  1
  Fe  Fe125  1  0.832540  0.057511  0.569777  1
  Fe  Fe126  1  0.832540  0.724177  0.569777  1
  Fe  Fe127  1  0.079693  0.341384  0.561081  1
  Fe  Fe128  1  0.079693  0.008050  0.561081  1
  Fe  Fe129  1  0.609250  0.406420  0.607057  1
  Fe  Fe130  1  0.079693  0.674717  0.561081  1
  Fe  Fe131  1  0.609250  0.073086  0.607057  1
  Fe  Fe132  1  0.609250  0.739753  0.607057  1
  Fe  Fe133  1  0.245341  0.270721  0.549905  1
  Fe  Fe134  1  0.245341  0.937387  0.549905  1
  Fe  Fe135  1  0.776553  0.334572  0.595596  1
  Fe  Fe136  1  0.245341  0.604054  0.549905  1
  Fe  Fe137  1  0.776553  0.001238  0.595596  1
  Fe  Fe138  1  0.776553  0.667905  0.595596  1
  Fe  Fe139  1  0.005843  0.473253  0.575140  1
  Fe  Fe140  1  0.005843  0.139920  0.575140  1
  Fe  Fe141  1  0.538006  0.532454  0.620573  1
  Fe  Fe142  1  0.005843  0.806587  0.575140  1
  Fe  Fe143  1  0.538006  0.199121  0.620573  1
  Fe  Fe144  1  0.538006  0.865787  0.620573  1
  Fe  Fe145  1  0.244032  0.330494  0.675489  1
  Fe  Fe146  1  0.244032  0.997161  0.675489  1
  Fe  Fe147  1  0.775167  0.385666  0.710608  1
  Fe  Fe148  1  0.244032  0.663828  0.675489  1
  Fe  Fe149  1  0.775167  0.052332  0.710608  1
  Fe  Fe150  1  0.775167  0.718999  0.710608  1
  Fe  Fe151  1  0.004147  0.375400  0.680293  1
  Fe  Fe152  1  0.004147  0.042067  0.680293  1
  Fe  Fe153  1  0.539360  0.436299  0.720486  1
  Fe  Fe154  1  0.004147  0.708734  0.680293  1
  Fe  Fe155  1  0.539360  0.102965  0.720486  1
  Fe  Fe156  1  0.539360  0.769632  0.720486  1
  Fe  Fe157  1  0.429837  0.586821  0.701716  1
  Fe  Fe158  1  0.429837  0.253487  0.701716  1
  Fe  Fe159  1  0.893645  0.520938  0.661373  1
  Fe  Fe160  1  0.429837  0.920154  0.701716  1
  Fe  Fe161  1  0.893645  0.187604  0.661373  1
  Fe  Fe162  1  0.893645  0.854271  0.661373  1
  Fe  Fe163  1  0.140858  0.467742  0.652657  1
  Fe  Fe164  1  0.140858  0.134409  0.652657  1
  Fe  Fe165  1  0.678175  0.514732  0.694283  1
  Fe  Fe166  1  0.140858  0.801075  0.652657  1
  Fe  Fe167  1  0.678175  0.181399  0.694283  1
  Fe  Fe168  1  0.678175  0.848065  0.694283  1
  Fe  Fe169  1  0.309043  0.396679  0.642047  1
  Fe  Fe170  1  0.309043  0.063345  0.642047  1
  Fe  Fe171  1  0.837993  0.468789  0.683301  1
  Fe  Fe172  1  0.309043  0.730012  0.642047  1
  Fe  Fe173  1  0.837993  0.135455  0.683301  1
  Fe  Fe174  1  0.837993  0.802122  0.683301  1
  Fe  Fe175  1  0.066622  0.601390  0.667043  1
  Fe  Fe176  1  0.066622  0.268056  0.667043  1
  Fe  Fe177  1  0.597355  0.671338  0.707392  1
  Fe  Fe178  1  0.066622  0.934723  0.667043  1
  Fe  Fe179  1  0.597355  0.338005  0.707392  1
  Fe  Fe180  1  0.597355  0.004672  0.707392  1
  P  P181  1  0.946117  0.784083  0.297370  1
  P  P182  1  0.946117  0.450750  0.297370  1
  P  P183  1  0.476777  0.845885  0.343606  1
  P  P184  1  0.946117  0.117416  0.297370  1
  P  P185  1  0.476777  0.512551  0.343606  1
  P  P186  1  0.476777  0.179218  0.343606  1
  P  P187  1  0.732585  0.945089  0.348141  1
  P  P188  1  0.732585  0.611756  0.348141  1
  P  P189  1  0.200964  0.881843  0.307873  1
  P  P190  1  0.732585  0.278422  0.348141  1
  P  P191  1  0.200964  0.548510  0.307873  1
  P  P192  1  0.200964  0.215177  0.307873  1
  P  P193  1  0.231657  0.110994  0.350074  1
  P  P194  1  0.231657  0.777661  0.350074  1
  P  P195  1  0.699087  0.048039  0.302889  1
  P  P196  1  0.231657  0.444328  0.350074  1
  P  P197  1  0.699087  0.714706  0.302889  1
  P  P198  1  0.699087  0.381372  0.302889  1
  P  P199  1  0.977233  0.013922  0.342546  1
  P  P200  1  0.977233  0.680588  0.342546  1
  P  P201  1  0.440910  0.948850  0.299176  1
  P  P202  1  0.977233  0.347255  0.342546  1
  P  P203  1  0.440910  0.615517  0.299176  1
  P  P204  1  0.440910  0.282184  0.299176  1
  P  P205  1  0.949623  0.917261  0.301943  1
  P  P206  1  0.949623  0.583927  0.301943  1
  P  P207  1  0.484016  0.979564  0.352762  1
  P  P208  1  0.949623  0.250594  0.301943  1
  P  P209  1  0.484016  0.646230  0.352762  1
  P  P210  1  0.484016  0.312897  0.352762  1
  P  P211  1  0.190515  0.755595  0.291392  1
  P  P212  1  0.190515  0.422262  0.291392  1
  P  P213  1  0.723171  0.816283  0.338007  1
  P  P214  1  0.190515  0.088929  0.291392  1
  P  P215  1  0.723171  0.482950  0.338007  1
  P  P216  1  0.723171  0.149616  0.338007  1
  P  P217  1  0.765017  0.793472  0.277434  1
  P  P218  1  0.765017  0.460139  0.277434  1
  P  P219  1  0.296316  0.860856  0.324090  1
  P  P220  1  0.765017  0.126806  0.277434  1
  P  P221  1  0.296316  0.527523  0.324090  1
  P  P222  1  0.296316  0.194190  0.324090  1
  P  P223  1  0.039730  0.876896  0.328975  1
  P  P224  1  0.039730  0.543563  0.328975  1
  P  P225  1  0.509175  0.815012  0.283576  1
  P  P226  1  0.039730  0.210229  0.328975  1
  P  P227  1  0.509175  0.481679  0.283576  1
  P  P228  1  0.509175  0.148346  0.283576  1
  P  P229  1  0.886348  0.040185  0.322661  1
  P  P230  1  0.886348  0.706852  0.322661  1
  P  P231  1  0.349518  0.965369  0.277346  1
  P  P232  1  0.886348  0.373518  0.322661  1
  P  P233  1  0.349518  0.632036  0.277346  1
  P  P234  1  0.349518  0.298702  0.277346  1
  P  P235  1  0.134761  0.025630  0.320165  1
  P  P236  1  0.134761  0.692296  0.320165  1
  P  P237  1  0.601552  0.968545  0.275752  1
  P  P238  1  0.134761  0.358963  0.320165  1
  P  P239  1  0.601552  0.635212  0.275752  1
  P  P240  1  0.601552  0.301878  0.275752  1
  P  P241  1  0.897364  0.142151  0.357271  1
  P  P242  1  0.897364  0.808817  0.357271  1
  P  P243  1  0.365619  0.072318  0.308719  1
  P  P244  1  0.897364  0.475484  0.357271  1
  P  P245  1  0.365619  0.738985  0.308719  1
  P  P246  1  0.365619  0.405651  0.308719  1
  P  P247  1  0.104907  0.926409  0.290375  1
  P  P248  1  0.104907  0.593075  0.290375  1
  P  P249  1  0.637848  0.991205  0.341012  1
  P  P250  1  0.104907  0.259742  0.290375  1
  P  P251  1  0.637848  0.657872  0.341012  1
  P  P252  1  0.637848  0.324538  0.341012  1
  P  P253  1  0.810728  0.823417  0.336502  1
  P  P254  1  0.810728  0.490084  0.336502  1
  P  P255  1  0.276640  0.755181  0.292189  1
  P  P256  1  0.810728  0.156751  0.336502  1
  P  P257  1  0.276640  0.421847  0.292189  1
  P  P258  1  0.276640  0.088514  0.292189  1
  P  P259  1  0.074210  0.969742  0.352509  1
  P  P260  1  0.074210  0.636408  0.352509  1
  P  P261  1  0.541756  0.910272  0.306262  1
  P  P262  1  0.074210  0.303075  0.352509  1
  P  P263  1  0.541756  0.576939  0.306262  1
  P  P264  1  0.541756  0.243606  0.306262  1
  P  P265  1  0.791899  0.030545  0.325161  1
  P  P266  1  0.791899  0.697211  0.325161  1
  P  P267  1  0.262109  0.965161  0.280852  1
  P  P268  1  0.791899  0.363878  0.325161  1
  P  P269  1  0.262109  0.631828  0.280852  1
  P  P270  1  0.262109  0.298494  0.280852  1
  P  P271  1  0.012110  0.972240  0.278530  1
  P  P272  1  0.012110  0.638906  0.278530  1
  P  P273  1  0.543414  0.040583  0.325310  1
  P  P274  1  0.012110  0.305573  0.278530  1
  P  P275  1  0.543414  0.707250  0.325310  1
  P  P276  1  0.543414  0.373916  0.325310  1
  P  P277  1  0.852860  0.803410  0.275729  1
  P  P278  1  0.852860  0.470076  0.275729  1
  P  P279  1  0.385663  0.864534  0.320942  1
  P  P280  1  0.852860  0.136743  0.275729  1
  P  P281  1  0.385663  0.531201  0.320942  1
  P  P282  1  0.385663  0.197868  0.320942  1
  P  P283  1  0.097598  0.800407  0.276935  1
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  P  P865  1  0.291601  0.578810  0.672172  1
  P  P866  1  0.291601  0.245477  0.672172  1
  P  P867  1  0.824165  0.647015  0.722996  1
  P  P868  1  0.291601  0.912143  0.672172  1
  P  P869  1  0.824165  0.313682  0.722996  1
  P  P870  1  0.824165  0.980349  0.722996  1
  P  P871  1  0.026899  0.435881  0.654137  1
  P  P872  1  0.026899  0.102548  0.654137  1
  P  P873  1  0.560618  0.502451  0.702792  1
  P  P874  1  0.026899  0.769215  0.654137  1
  P  P875  1  0.560618  0.169118  0.702792  1
  P  P876  1  0.560618  0.835784  0.702792  1
  P  P877  1  0.384894  0.340704  0.705165  1
  P  P878  1  0.384894  0.007370  0.705165  1
  P  P879  1  0.850391  0.277446  0.659140  1
  P  P880  1  0.384894  0.674037  0.705165  1
  P  P881  1  0.850391  0.944112  0.659140  1
  P  P882  1  0.850391  0.610779  0.659140  1
  P  P883  1  0.110939  0.420377  0.678696  1
  P  P884  1  0.110939  0.087044  0.678696  1
  P  P885  1  0.650615  0.477863  0.726057  1
  P  P886  1  0.110939  0.753711  0.678696  1
  P  P887  1  0.650615  0.144530  0.726057  1
  P  P888  1  0.650615  0.811196  0.726057  1
  P  P889  1  0.241762  0.643704  0.722335  1
  P  P890  1  0.241762  0.310371  0.722335  1
  P  P891  1  0.701247  0.587127  0.676603  1
  P  P892  1  0.241762  0.977038  0.722335  1
  P  P893  1  0.701247  0.253794  0.676603  1
  P  P894  1  0.701247  0.920461  0.676603  1
  P  P895  1  0.941208  0.429386  0.659635  1
  P  P896  1  0.941208  0.096053  0.659635  1
  P  P897  1  0.473254  0.490116  0.711074  1
  P  P898  1  0.941208  0.762719  0.659635  1
  P  P899  1  0.473254  0.156782  0.711074  1
  P  P900  1  0.473254  0.823449  0.711074  1
