# generated using pymatgen
data_FeP4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.70871398
_cell_length_b   20.09904270
_cell_length_c   55.53110579
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeP4
_chemical_formula_sum   'Fe72 P288'
_cell_volume   17532.8423157
_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  0.588369  0.694947  0.299092  1
  Fe  Fe2  1  0.600247  0.059642  0.338529  1
  Fe  Fe3  1  0.588063  0.325148  0.274858  1
  Fe  Fe4  1  0.110305  0.616397  0.266004  1
  Fe  Fe5  1  0.113475  0.975884  0.297097  1
  Fe  Fe6  1  0.101563  0.348678  0.332895  1
  Fe  Fe7  1  0.900740  0.475884  0.297097  1
  Fe  Fe8  1  0.912652  0.848678  0.332895  1
  Fe  Fe9  1  0.903910  0.116397  0.266004  1
  Fe  Fe10  1  0.413968  0.559642  0.338529  1
  Fe  Fe11  1  0.426152  0.825148  0.274858  1
  Fe  Fe12  1  0.425846  0.194947  0.299092  1
  Fe  Fe13  1  0.758449  0.574094  0.298445  1
  Fe  Fe14  1  0.766374  0.946142  0.336347  1
  Fe  Fe15  1  0.763295  0.204116  0.269361  1
  Fe  Fe16  1  0.247840  0.446142  0.336347  1
  Fe  Fe17  1  0.250920  0.704116  0.269361  1
  Fe  Fe18  1  0.255766  0.074094  0.298445  1
  Fe  Fe19  1  0.605478  0.791329  0.412544  1
  Fe  Fe20  1  0.604916  0.162350  0.450008  1
  Fe  Fe21  1  0.600370  0.426983  0.375641  1
  Fe  Fe22  1  0.098317  0.712327  0.368753  1
  Fe  Fe23  1  0.105837  0.089955  0.407719  1
  Fe  Fe24  1  0.101326  0.458974  0.444661  1
  Fe  Fe25  1  0.908378  0.589955  0.407719  1
  Fe  Fe26  1  0.912889  0.958974  0.444661  1
  Fe  Fe27  1  0.915898  0.212327  0.368753  1
  Fe  Fe28  1  0.409299  0.662350  0.450008  1
  Fe  Fe29  1  0.413845  0.926983  0.375641  1
  Fe  Fe30  1  0.408737  0.291329  0.412544  1
  Fe  Fe31  1  0.756194  0.689796  0.410107  1
  Fe  Fe32  1  0.756646  0.063651  0.447295  1
  Fe  Fe33  1  0.748986  0.332475  0.373215  1
  Fe  Fe34  1  0.257569  0.563651  0.447295  1
  Fe  Fe35  1  0.265229  0.832475  0.373215  1
  Fe  Fe36  1  0.258021  0.189796  0.410107  1
  Fe  Fe37  1  0.605980  0.901503  0.524661  1
  Fe  Fe38  1  0.597692  0.279008  0.563427  1
  Fe  Fe39  1  0.601602  0.532184  0.487403  1
  Fe  Fe40  1  0.105023  0.828851  0.482138  1
  Fe  Fe41  1  0.104909  0.200721  0.519772  1
  Fe  Fe42  1  0.100664  0.564295  0.556524  1
  Fe  Fe43  1  0.909305  0.700721  0.519772  1
  Fe  Fe44  1  0.913550  0.064295  0.556524  1
  Fe  Fe45  1  0.909192  0.328851  0.482138  1
  Fe  Fe46  1  0.416523  0.779008  0.563427  1
  Fe  Fe47  1  0.412613  0.032184  0.487403  1
  Fe  Fe48  1  0.408235  0.401503  0.524661  1
  Fe  Fe49  1  0.758533  0.801774  0.522299  1
  Fe  Fe50  1  0.764690  0.158463  0.558991  1
  Fe  Fe51  1  0.756966  0.428101  0.484773  1
  Fe  Fe52  1  0.249525  0.658463  0.558991  1
  Fe  Fe53  1  0.257249  0.928101  0.484773  1
  Fe  Fe54  1  0.255681  0.301774  0.522299  1
  Fe  Fe55  1  0.612951  1.015669  0.635149  1
  Fe  Fe56  1  0.610595  0.374748  0.666383  1
  Fe  Fe57  1  0.602892  0.641600  0.599351  1
  Fe  Fe58  1  0.108429  0.937973  0.594116  1
  Fe  Fe59  1  0.086977  0.297283  0.633136  1
  Fe  Fe60  1  0.087837  0.666728  0.657441  1
  Fe  Fe61  1  0.927237  0.797283  0.633136  1
  Fe  Fe62  1  0.926377  0.166728  0.657441  1
  Fe  Fe63  1  0.905786  0.437973  0.594116  1
  Fe  Fe64  1  0.403620  0.874748  0.666383  1
  Fe  Fe65  1  0.411323  0.141600  0.599351  1
  Fe  Fe66  1  0.401264  0.515669  0.635149  1
  Fe  Fe67  1  0.755886  0.917913  0.633754  1
  Fe  Fe68  1  0.750791  0.286855  0.662920  1
  Fe  Fe69  1  0.752598  0.540332  0.596163  1
  Fe  Fe70  1  0.263424  0.786855  0.662920  1
  Fe  Fe71  1  0.261616  0.040332  0.596163  1
  Fe  Fe72  1  0.258329  0.417913  0.633754  1
  P  P73  1  0.510707  0.745327  0.332113  1
  P  P74  1  0.511687  1.002636  0.261111  1
  P  P75  1  0.495012  0.377776  0.297276  1
  P  P76  1  1.003361  0.656653  0.341566  1
  P  P77  1  0.019630  0.913148  0.268777  1
  P  P78  1  0.009231  0.285408  0.304319  1
  P  P79  1  0.994585  0.413148  0.268777  1
  P  P80  1  1.004984  0.785408  0.304319  1
  P  P81  1  0.010854  0.156653  0.341566  1
  P  P82  1  0.502528  0.502636  0.261111  1
  P  P83  1  0.519203  0.877776  0.297276  1
  P  P84  1  0.503507  0.245327  0.332113  1
  P  P85  1  0.499216  0.603577  0.305440  1
  P  P86  1  0.512497  0.967508  0.344465  1
  P  P87  1  0.506177  0.236389  0.263663  1
  P  P88  1  0.015333  0.691529  0.251652  1
  P  P89  1  0.011444  0.065057  0.289984  1
  P  P90  1  1.000647  0.437015  0.327729  1
  P  P91  1  0.157252  0.673508  0.297793  1
  P  P92  1  0.167655  0.041911  0.329281  1
  P  P93  1  0.154454  0.304756  0.256621  1
  P  P94  1  0.661008  0.621712  0.267945  1
  P  P95  1  0.672159  0.995615  0.305490  1
  P  P96  1  0.657502  0.364031  0.341853  1
  P  P97  1  0.342055  0.495615  0.305490  1
  P  P98  1  0.356713  0.864031  0.341853  1
  P  P99  1  0.353207  0.121712  0.267945  1
  P  P100  1  0.846559  0.541911  0.329281  1
  P  P101  1  0.859761  0.804756  0.256621  1
  P  P102  1  0.856963  0.173508  0.297793  1
  P  P103  1  0.335961  0.399769  0.258236  1
  P  P104  1  0.339288  0.763484  0.296768  1
  P  P105  1  0.332543  0.143322  0.329056  1
  P  P106  1  0.822402  0.515193  0.264309  1
  P  P107  1  0.833134  0.891587  0.302602  1
  P  P108  1  0.826577  0.266127  0.342479  1
  P  P109  1  0.187638  0.766127  0.342479  1
  P  P110  1  0.191813  1.015193  0.264309  1
  P  P111  1  0.181081  0.391587  0.302602  1
  P  P112  1  0.681671  0.643322  0.329056  1
  P  P113  1  0.678254  0.899769  0.258236  1
  P  P114  1  0.674927  0.263484  0.296768  1
  P  P115  1  0.158648  0.540542  0.330137  1
  P  P116  1  0.181347  0.793912  0.255342  1
  P  P117  1  0.165910  0.169781  0.291162  1
  P  P118  1  0.656699  0.492230  0.304918  1
  P  P119  1  0.668888  0.860458  0.342967  1
  P  P120  1  0.667120  0.123519  0.265577  1
  P  P121  1  0.347095  0.623519  0.265577  1
  P  P122  1  0.357516  0.992230  0.304918  1
  P  P123  1  0.345327  0.360458  0.342967  1
  P  P124  1  0.848305  0.669781  0.291162  1
  P  P125  1  0.855566  0.040542  0.330137  1
  P  P126  1  0.832868  0.293912  0.255342  1
  P  P127  1  0.668272  0.397032  0.256144  1
  P  P128  1  0.688066  0.773732  0.293180  1
  P  P129  1  0.691734  0.142265  0.332807  1
  P  P130  1  0.180319  0.519201  0.265438  1
  P  P131  1  0.195668  0.885179  0.303393  1
  P  P132  1  0.184100  0.258211  0.341270  1
  P  P133  1  0.830114  0.758211  0.341270  1
  P  P134  1  0.833896  1.019201  0.265438  1
  P  P135  1  0.818547  0.385179  0.303393  1
  P  P136  1  0.322481  0.642265  0.332807  1
  P  P137  1  0.345943  0.897032  0.256144  1
  P  P138  1  0.326149  0.273732  0.293180  1
  P  P139  1  0.501718  0.467508  0.344465  1
  P  P140  1  0.508037  0.736389  0.263663  1
  P  P141  1  0.514999  0.103577  0.305440  1
  P  P142  1  1.002771  0.565057  0.289984  1
  P  P143  1  0.013568  0.937015  0.327729  1
  P  P144  1  0.998882  0.191529  0.251652  1
  P  P145  1  0.511194  0.852819  0.441913  1
  P  P146  1  0.510837  0.115267  0.368170  1
  P  P147  1  0.505647  0.484371  0.404993  1
  P  P148  1  0.008716  0.769074  0.453258  1
  P  P149  1  0.010694  1.028819  0.378967  1
  P  P150  1  0.007204  0.398536  0.415812  1
  P  P151  1  1.003520  0.528819  0.378967  1
  P  P152  1  1.007011  0.898536  0.415812  1
  P  P153  1  1.005499  0.269074  0.453258  1
  P  P154  1  0.503378  0.615267  0.368170  1
  P  P155  1  0.508568  0.984371  0.404993  1
  P  P156  1  0.503021  0.352819  0.441913  1
  P  P157  1  0.508046  0.701516  0.418863  1
  P  P158  1  0.509627  0.070591  0.456149  1
  P  P159  1  0.504766  0.334219  0.381676  1
  P  P160  1  0.009363  0.809676  0.364699  1
  P  P161  1  0.009021  0.181100  0.402012  1
  P  P162  1  0.007130  0.551646  0.438996  1
  P  P163  1  0.164478  0.783902  0.402456  1
  P  P164  1  0.163711  0.153873  0.441089  1
  P  P165  1  0.157830  0.412406  0.367135  1
  P  P166  1  0.662963  0.726990  0.379245  1
  P  P167  1  0.663660  0.099498  0.416390  1
  P  P168  1  0.661656  0.467236  0.454690  1
  P  P169  1  0.350555  0.599498  0.416390  1
  P  P170  1  0.352559  0.967236  0.454690  1
  P  P171  1  0.351252  0.226990  0.379245  1
  P  P172  1  0.850504  0.653873  0.441089  1
  P  P173  1  0.856384  0.912406  0.367135  1
  P  P174  1  0.849736  0.283902  0.402456  1
  P  P175  1  0.325195  0.510701  0.368036  1
  P  P176  1  0.332618  0.885438  0.405862  1
  P  P177  1  0.328439  0.251761  0.442647  1
  P  P178  1  0.827410  0.629245  0.377716  1
  P  P179  1  0.830083  1.000500  0.415296  1
  P  P180  1  0.828319  0.368098  0.452018  1
  P  P181  1  0.185896  0.868098  0.452018  1
  P  P182  1  0.186805  0.129245  0.377716  1
  P  P183  1  0.184132  0.500500  0.415296  1
  P  P184  1  0.685776  0.751761  0.442647  1
  P  P185  1  0.689020  1.010701  0.368036  1
  P  P186  1  0.681597  0.385438  0.405862  1
  P  P187  1  0.164691  0.654900  0.440548  1
  P  P188  1  0.168231  0.916948  0.366582  1
  P  P189  1  0.165355  0.282373  0.403078  1
  P  P190  1  0.664049  0.597948  0.417819  1
  P  P191  1  0.667041  0.969334  0.454425  1
  P  P192  1  0.664937  0.233509  0.380205  1
  P  P193  1  0.349278  0.733509  0.380205  1
  P  P194  1  0.350166  0.097948  0.417819  1
  P  P195  1  0.347174  0.469334  0.454425  1
  P  P196  1  0.848860  0.782373  0.403078  1
  P  P197  1  0.849523  0.154900  0.440548  1
  P  P198  1  0.845984  0.416948  0.366582  1
  P  P199  1  0.681056  0.517644  0.367249  1
  P  P200  1  0.687286  0.882631  0.404637  1
  P  P201  1  0.684222  0.253879  0.441469  1
  P  P202  1  0.183543  0.628746  0.379411  1
  P  P203  1  0.186032  0.998915  0.416618  1
  P  P204  1  0.183495  0.368808  0.453145  1
  P  P205  1  0.830720  0.868808  0.453145  1
  P  P206  1  0.830672  0.128746  0.379411  1
  P  P207  1  0.828183  0.498915  0.416618  1
  P  P208  1  0.329993  0.753879  0.441469  1
  P  P209  1  0.333159  1.017644  0.367249  1
  P  P210  1  0.326929  0.382631  0.404637  1
  P  P211  1  0.504588  0.570591  0.456149  1
  P  P212  1  0.509449  0.834219  0.381676  1
  P  P213  1  0.506169  0.201516  0.418863  1
  P  P214  1  1.005193  0.681100  0.402012  1
  P  P215  1  1.007085  0.051646  0.438996  1
  P  P216  1  1.004852  0.309676  0.364699  1
  P  P217  1  0.510467  0.962517  0.553323  1
  P  P218  1  0.508597  0.222308  0.479020  1
  P  P219  1  0.507780  0.592771  0.516434  1
  P  P220  1  0.013497  0.877206  0.564544  1
  P  P221  1  0.010873  0.138880  0.490358  1
  P  P222  1  1.005791  0.507013  0.527133  1
  P  P223  1  1.003342  0.638880  0.490358  1
  P  P224  1  0.008424  1.007013  0.527133  1
  P  P225  1  1.000718  0.377206  0.564544  1
  P  P226  1  0.505618  0.722308  0.479020  1
  P  P227  1  0.506435  0.092771  0.516434  1
  P  P228  1  0.503748  0.462517  0.553323  1
  P  P229  1  0.509329  0.810224  0.530242  1
  P  P230  1  0.508577  0.181342  0.567559  1
  P  P231  1  0.506961  0.439815  0.493283  1
  P  P232  1  0.009773  0.920743  0.476036  1
  P  P233  1  0.007585  0.290398  0.513579  1
  P  P234  1  1.005210  0.657153  0.550554  1
  P  P235  1  0.164289  0.891639  0.515583  1
  P  P236  1  0.161965  0.264921  0.553152  1
  P  P237  1  0.161877  0.524100  0.477423  1
  P  P238  1  0.663997  0.837670  0.491262  1
  P  P239  1  0.663886  0.207304  0.529765  1
  P  P240  1  0.659596  0.578239  0.565431  1
  P  P241  1  0.350329  0.707304  0.529765  1
  P  P242  1  0.354619  0.078239  0.565431  1
  P  P243  1  0.350218  0.337670  0.491262  1
  P  P244  1  0.852250  0.764921  0.553152  1
  P  P245  1  0.852337  1.024100  0.477423  1
  P  P246  1  0.849926  0.391639  0.515583  1
  P  P247  1  0.328646  0.623173  0.480185  1
  P  P248  1  0.330173  0.991186  0.516872  1
  P  P249  1  0.327244  0.361938  0.554656  1
  P  P250  1  0.828836  0.740057  0.489659  1
  P  P251  1  0.832317  0.105777  0.526312  1
  P  P252  1  0.825527  0.480595  0.563529  1
  P  P253  1  0.188687  0.980595  0.563529  1
  P  P254  1  0.185379  0.240057  0.489659  1
  P  P255  1  0.181898  0.605777  0.526312  1
  P  P256  1  0.686971  0.861938  0.554656  1
  P  P257  1  0.685569  0.123173  0.480185  1
  P  P258  1  0.684042  0.491186  0.516872  1
  P  P259  1  0.165733  0.757557  0.551928  1
  P  P260  1  0.167023  1.022049  0.477767  1
  P  P261  1  0.163891  0.393719  0.514447  1
  P  P262  1  0.665867  0.709060  0.529233  1
  P  P263  1  0.667858  0.074355  0.565722  1
  P  P264  1  0.664380  0.336530  0.491678  1
  P  P265  1  0.349835  0.836530  0.491678  1
  P  P266  1  0.348348  0.209060  0.529233  1
  P  P267  1  0.346357  0.574355  0.565722  1
  P  P268  1  0.850324  0.893719  0.514447  1
  P  P269  1  0.848482  0.257557  0.551928  1
  P  P270  1  0.847192  0.522049  0.477767  1
  P  P271  1  0.683602  0.622761  0.479032  1
  P  P272  1  0.685954  0.992520  0.515716  1
  P  P273  1  0.683283  0.362798  0.552870  1
  P  P274  1  0.184537  0.737435  0.490732  1
  P  P275  1  0.186782  0.109274  0.527468  1
  P  P276  1  0.180811  0.473557  0.564988  1
  P  P277  1  0.833404  0.973557  0.564988  1
  P  P278  1  0.829678  0.237435  0.490732  1
  P  P279  1  0.827432  0.609274  0.527468  1
  P  P280  1  0.330932  0.862798  0.552870  1
  P  P281  1  0.330613  0.122761  0.479032  1
  P  P282  1  0.328260  0.492520  0.515716  1
  P  P283  1  0.505638  0.681342  0.567559  1
  P  P284  1  0.507254  0.939815  0.493283  1
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  P  P327  1  0.175205  0.727743  0.635409  1
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