# generated using pymatgen
data_FeP4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   24.59478244
_cell_length_b   25.37727073
_cell_length_c   58.55941227
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   106.55447048
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeP4
_chemical_formula_sum   'Fe162 P648'
_cell_volume   35034.7528156
_cell_formula_units_Z   162
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  0.862634  0.430650  0.281496  1
  Fe  Fe2  1  0.529300  0.097316  0.281496  1
  Fe  Fe3  1  0.640092  0.325759  0.339119  1
  Fe  Fe4  1  0.416013  0.227307  0.394317  1
  Fe  Fe5  1  0.195967  0.763983  0.281496  1
  Fe  Fe6  1  0.306758  0.992426  0.339119  1
  Fe  Fe7  1  0.082680  0.893974  0.394317  1
  Fe  Fe8  1  0.973425  0.659093  0.339119  1
  Fe  Fe9  1  0.749346  0.560640  0.394317  1
  Fe  Fe10  1  0.895755  0.197140  0.393693  1
  Fe  Fe11  1  0.562422  0.863807  0.393693  1
  Fe  Fe12  1  0.332230  0.386688  0.284491  1
  Fe  Fe13  1  0.118648  0.295579  0.337965  1
  Fe  Fe14  1  0.229089  0.530474  0.393693  1
  Fe  Fe15  1  0.998897  0.053355  0.284491  1
  Fe  Fe16  1  0.785314  0.962246  0.337965  1
  Fe  Fe17  1  0.665563  0.720022  0.284491  1
  Fe  Fe18  1  0.451981  0.628912  0.337965  1
  Fe  Fe19  1  0.777647  0.137852  0.333602  1
  Fe  Fe20  1  0.444314  0.804519  0.333602  1
  Fe  Fe21  1  0.553188  0.037595  0.388933  1
  Fe  Fe22  1  0.005235  0.241218  0.279697  1
  Fe  Fe23  1  0.110980  0.471186  0.333602  1
  Fe  Fe24  1  0.219855  0.704262  0.388933  1
  Fe  Fe25  1  0.671902  0.907885  0.279697  1
  Fe  Fe26  1  0.886522  0.370929  0.388933  1
  Fe  Fe27  1  0.338568  0.574552  0.279697  1
  Fe  Fe28  1  0.077763  0.064933  0.392447  1
  Fe  Fe29  1  0.744430  0.731600  0.392447  1
  Fe  Fe30  1  0.522863  0.259929  0.280851  1
  Fe  Fe31  1  0.301757  0.163498  0.333161  1
  Fe  Fe32  1  0.411097  0.398267  0.392447  1
  Fe  Fe33  1  0.189530  0.926596  0.280851  1
  Fe  Fe34  1  0.968424  0.830165  0.333161  1
  Fe  Fe35  1  0.856197  0.593263  0.280851  1
  Fe  Fe36  1  0.635090  0.496832  0.333161  1
  Fe  Fe37  1  0.713725  0.224019  0.336150  1
  Fe  Fe38  1  0.380392  0.890686  0.336150  1
  Fe  Fe39  1  0.487473  0.124752  0.391031  1
  Fe  Fe40  1  0.938742  0.324005  0.281911  1
  Fe  Fe41  1  0.047058  0.557352  0.336150  1
  Fe  Fe42  1  0.154140  0.791418  0.391031  1
  Fe  Fe43  1  0.605408  0.990672  0.281911  1
  Fe  Fe44  1  0.820806  0.458085  0.391031  1
  Fe  Fe45  1  0.272075  0.657339  0.281911  1
  Fe  Fe46  1  0.816848  0.961529  0.389002  1
  Fe  Fe47  1  0.483515  0.628196  0.389002  1
  Fe  Fe48  1  0.269525  0.161480  0.282949  1
  Fe  Fe49  1  0.040312  0.062515  0.332435  1
  Fe  Fe50  1  0.150181  0.294862  0.389002  1
  Fe  Fe51  1  0.936192  0.828147  0.282949  1
  Fe  Fe52  1  0.706978  0.729182  0.332435  1
  Fe  Fe53  1  0.602859  0.494813  0.282949  1
  Fe  Fe54  1  0.373645  0.395849  0.332435  1
  Fe  Fe55  1  0.192600  0.128158  0.450207  1
  Fe  Fe56  1  0.859267  0.794825  0.450207  1
  Fe  Fe57  1  0.969024  0.028873  0.506032  1
  Fe  Fe58  1  0.744749  0.929577  0.561953  1
  Fe  Fe59  1  0.525934  0.461492  0.450207  1
  Fe  Fe60  1  0.635690  0.695539  0.506032  1
  Fe  Fe61  1  0.411416  0.596244  0.561953  1
  Fe  Fe62  1  0.302357  0.362206  0.506032  1
  Fe  Fe63  1  0.078082  0.262910  0.561953  1
  Fe  Fe64  1  0.223249  0.898767  0.561065  1
  Fe  Fe65  1  0.889915  0.565434  0.561065  1
  Fe  Fe66  1  0.671536  0.097882  0.449079  1
  Fe  Fe67  1  0.447581  0.998548  0.504790  1
  Fe  Fe68  1  0.556582  0.232101  0.561065  1
  Fe  Fe69  1  0.338203  0.764549  0.449079  1
  Fe  Fe70  1  0.114248  0.665215  0.504790  1
  Fe  Fe71  1  0.004870  0.431215  0.449079  1
  Fe  Fe72  1  0.780914  0.331882  0.504790  1
  Fe  Fe73  1  0.105737  0.839482  0.500332  1
  Fe  Fe74  1  0.772403  0.506149  0.500332  1
  Fe  Fe75  1  0.882151  0.739781  0.556090  1
  Fe  Fe76  1  0.329598  0.938965  0.444493  1
  Fe  Fe77  1  0.439070  0.172815  0.500332  1
  Fe  Fe78  1  0.548818  0.406448  0.556090  1
  Fe  Fe79  1  0.996264  0.605631  0.444493  1
  Fe  Fe80  1  0.215485  0.073115  0.556090  1
  Fe  Fe81  1  0.662931  0.272298  0.444493  1
  Fe  Fe82  1  0.406394  0.767129  0.559760  1
  Fe  Fe83  1  0.073060  0.433796  0.559760  1
  Fe  Fe84  1  0.854885  0.965942  0.448279  1
  Fe  Fe85  1  0.631214  0.866680  0.503904  1
  Fe  Fe86  1  0.739727  0.100463  0.559760  1
  Fe  Fe87  1  0.521552  0.632609  0.448279  1
  Fe  Fe88  1  0.297881  0.533347  0.503904  1
  Fe  Fe89  1  0.188219  0.299275  0.448279  1
  Fe  Fe90  1  0.964548  0.200013  0.503904  1
  Fe  Fe91  1  0.040499  0.926391  0.502550  1
  Fe  Fe92  1  0.707166  0.593058  0.502550  1
  Fe  Fe93  1  0.816361  0.826374  0.558514  1
  Fe  Fe94  1  0.264058  0.025664  0.446775  1
  Fe  Fe95  1  0.373833  0.259724  0.502550  1
  Fe  Fe96  1  0.483027  0.493040  0.558514  1
  Fe  Fe97  1  0.930724  0.692330  0.446775  1
  Fe  Fe98  1  0.149694  0.159707  0.558514  1
  Fe  Fe99  1  0.597391  0.358997  0.446775  1
  Fe  Fe100  1  0.145950  0.664361  0.555901  1
  Fe  Fe101  1  0.812617  0.331028  0.555901  1
  Fe  Fe102  1  0.593227  0.862736  0.444810  1
  Fe  Fe103  1  0.369024  0.763766  0.500341  1
  Fe  Fe104  1  0.479283  0.997694  0.555901  1
  Fe  Fe105  1  0.259894  0.529402  0.444810  1
  Fe  Fe106  1  0.035691  0.430433  0.500341  1
  Fe  Fe107  1  0.926560  0.196069  0.444810  1
  Fe  Fe108  1  0.702357  0.097099  0.500341  1
  Fe  Fe109  1  0.520879  0.830546  0.617295  1
  Fe  Fe110  1  0.187546  0.497212  0.617295  1
  Fe  Fe111  1  0.296391  0.729833  0.673874  1
  Fe  Fe112  1  0.076833  0.624357  0.726020  1
  Fe  Fe113  1  0.854212  0.163879  0.617295  1
  Fe  Fe114  1  0.963057  0.396500  0.673874  1
  Fe  Fe115  1  0.743499  0.291023  0.726020  1
  Fe  Fe116  1  0.629724  0.063166  0.673874  1
  Fe  Fe117  1  0.410166  0.957690  0.726020  1
  Fe  Fe118  1  0.551256  0.603371  0.716323  1
  Fe  Fe119  1  0.217923  0.270038  0.716323  1
  Fe  Fe120  1  0.999693  0.798809  0.613538  1
  Fe  Fe121  1  0.773764  0.698811  0.672382  1
  Fe  Fe122  1  0.884590  0.936704  0.716323  1
  Fe  Fe123  1  0.666360  0.465476  0.613538  1
  Fe  Fe124  1  0.440430  0.365478  0.672382  1
  Fe  Fe125  1  0.333026  0.132143  0.613538  1
  Fe  Fe126  1  0.107097  0.032144  0.672382  1
  Fe  Fe127  1  0.432400  0.540199  0.667546  1
  Fe  Fe128  1  0.099067  0.206866  0.667546  1
  Fe  Fe129  1  0.214677  0.430906  0.721736  1
  Fe  Fe130  1  0.659315  0.640530  0.611360  1
  Fe  Fe131  1  0.765734  0.873532  0.667546  1
  Fe  Fe132  1  0.881344  0.097572  0.721736  1
  Fe  Fe133  1  0.325982  0.307197  0.611360  1
  Fe  Fe134  1  0.548010  0.764239  0.721736  1
  Fe  Fe135  1  0.992649  0.973863  0.611360  1
  Fe  Fe136  1  0.736256  0.471523  0.719094  1
  Fe  Fe137  1  0.402922  0.138189  0.719094  1
  Fe  Fe138  1  0.183183  0.668613  0.615501  1
  Fe  Fe139  1  0.959980  0.569919  0.671086  1
  Fe  Fe140  1  0.069589  0.804856  0.719094  1
  Fe  Fe141  1  0.849849  0.335279  0.615501  1
  Fe  Fe142  1  0.626647  0.236586  0.671086  1
  Fe  Fe143  1  0.516516  0.001946  0.615501  1
  Fe  Fe144  1  0.293313  0.903252  0.671086  1
  Fe  Fe145  1  0.369663  0.628370  0.669638  1
  Fe  Fe146  1  0.036330  0.295037  0.669638  1
  Fe  Fe147  1  0.138442  0.537679  0.723952  1
  Fe  Fe148  1  0.594167  0.728722  0.613054  1
  Fe  Fe149  1  0.702997  0.961704  0.669638  1
  Fe  Fe150  1  0.805109  0.204346  0.723952  1
  Fe  Fe151  1  0.260834  0.395389  0.613054  1
  Fe  Fe152  1  0.471775  0.871012  0.723952  1
  Fe  Fe153  1  0.927500  0.062056  0.613054  1
  Fe  Fe154  1  0.473091  0.368102  0.717957  1
  Fe  Fe155  1  0.139758  0.034769  0.717957  1
  Fe  Fe156  1  0.922633  0.565403  0.611586  1
  Fe  Fe157  1  0.699468  0.468754  0.674692  1
  Fe  Fe158  1  0.806424  0.701435  0.717957  1
  Fe  Fe159  1  0.589299  0.232069  0.611586  1
  Fe  Fe160  1  0.366135  0.135421  0.674692  1
  Fe  Fe161  1  0.255966  0.898736  0.611586  1
  Fe  Fe162  1  0.032802  0.802088  0.674692  1
  P  P163  1  0.772208  0.437331  0.291665  1
  P  P164  1  0.438875  0.103997  0.291665  1
  P  P165  1  0.546018  0.336499  0.345300  1
  P  P166  1  0.322388  0.238216  0.400347  1
  P  P167  1  0.105542  0.770664  0.291665  1
  P  P168  1  0.212685  0.003165  0.345300  1
  P  P169  1  0.989055  0.904883  0.400347  1
  P  P170  1  0.879351  0.669832  0.345300  1
  P  P171  1  0.655721  0.571549  0.400347  1
  P  P172  1  0.926971  0.238302  0.355140  1
  P  P173  1  0.593637  0.904968  0.355140  1
  P  P174  1  0.703548  0.138876  0.410474  1
  P  P175  1  0.151134  0.338047  0.300273  1
  P  P176  1  0.260304  0.571635  0.355140  1
  P  P177  1  0.370214  0.805543  0.410474  1
  P  P178  1  0.817801  0.004714  0.300273  1
  P  P179  1  0.036881  0.472209  0.410474  1
  P  P180  1  0.484467  0.671381  0.300273  1
  P  P181  1  0.872146  0.123354  0.325245  1
  P  P182  1  0.538813  0.790021  0.325245  1
  P  P183  1  0.647859  0.021991  0.382601  1
  P  P184  1  0.097582  0.224522  0.271467  1
  P  P185  1  0.205479  0.456688  0.325245  1
  P  P186  1  0.314526  0.688658  0.382601  1
  P  P187  1  0.764249  0.891189  0.271467  1
  P  P188  1  0.981193  0.355325  0.382601  1
  P  P189  1  0.430916  0.557856  0.271467  1
  P  P190  1  0.715017  0.317862  0.265630  1
  P  P191  1  0.381683  0.984529  0.265630  1
  P  P192  1  0.494531  0.219122  0.317346  1
  P  P193  1  0.267964  0.121449  0.371834  1
  P  P194  1  0.048350  0.651195  0.265630  1
  P  P195  1  0.161197  0.885788  0.317346  1
  P  P196  1  0.934631  0.788116  0.371834  1
  P  P197  1  0.827864  0.552455  0.317346  1
  P  P198  1  0.601298  0.454783  0.371834  1
  P  P199  1  0.613984  0.305581  0.300135  1
  P  P200  1  0.280651  0.972248  0.300135  1
  P  P201  1  0.391526  0.205156  0.355230  1
  P  P202  1  0.827284  0.413106  0.243736  1
  P  P203  1  0.947317  0.638915  0.300135  1
  P  P204  1  0.058193  0.871823  0.355230  1
  P  P205  1  0.493950  0.079773  0.243736  1
  P  P206  1  0.724860  0.538490  0.355230  1
  P  P207  1  0.160617  0.746439  0.243736  1
  P  P208  1  0.858687  0.271324  0.399512  1
  P  P209  1  0.525353  0.937991  0.399512  1
  P  P210  1  0.307396  0.471124  0.284776  1
  P  P211  1  0.082153  0.370715  0.343972  1
  P  P212  1  0.192020  0.604658  0.399512  1
  P  P213  1  0.974063  0.137791  0.284776  1
  P  P214  1  0.748820  0.037382  0.343972  1
  P  P215  1  0.640729  0.804458  0.284776  1
  P  P216  1  0.415487  0.704049  0.343972  1
  P  P217  1  0.062492  0.252192  0.370466  1
  P  P218  1  0.729159  0.918859  0.370466  1
  P  P219  1  0.519508  0.450985  0.258681  1
  P  P220  1  0.282922  0.351307  0.315006  1
  P  P221  1  0.395826  0.585526  0.370466  1
  P  P222  1  0.186175  0.117652  0.258681  1
  P  P223  1  0.949589  0.017974  0.315006  1
  P  P224  1  0.852842  0.784318  0.258681  1
  P  P225  1  0.616255  0.684640  0.315006  1
  P  P226  1  0.736766  0.324128  0.325772  1
  P  P227  1  0.403433  0.990794  0.325772  1
  P  P228  1  0.512606  0.226005  0.381721  1
  P  P229  1  0.956239  0.419085  0.268107  1
  P  P230  1  0.070099  0.657461  0.325772  1
  P  P231  1  0.179273  0.892672  0.381721  1
  P  P232  1  0.622905  0.085752  0.268107  1
  P  P233  1  0.845939  0.559339  0.381721  1
  P  P234  1  0.289572  0.752419  0.268107  1
  P  P235  1  0.569919  0.309078  0.246183  1
  P  P236  1  0.236586  0.975744  0.246183  1
  P  P237  1  0.358672  0.207370  0.300426  1
  P  P238  1  0.127450  0.105572  0.356482  1
  P  P239  1  0.903253  0.642411  0.246183  1
  P  P240  1  0.025339  0.874037  0.300426  1
  P  P241  1  0.794117  0.772238  0.356482  1
  P  P242  1  0.692006  0.540703  0.300426  1
  P  P243  1  0.460783  0.438905  0.356482  1
  P  P244  1  0.906599  0.230561  0.286501  1
  P  P245  1  0.573266  0.897228  0.286501  1
  P  P246  1  0.681639  0.130066  0.346911  1
  P  P247  1  0.457485  0.030820  0.401675  1
  P  P248  1  0.239932  0.563894  0.286501  1
  P  P249  1  0.348305  0.796732  0.346911  1
  P  P250  1  0.124152  0.697487  0.401675  1
  P  P251  1  0.014972  0.463399  0.346911  1
  P  P252  1  0.790819  0.364154  0.401675  1
  P  P253  1  0.996982  0.022137  0.370515  1
  P  P254  1  0.663649  0.688804  0.370515  1
  P  P255  1  0.445520  0.213176  0.258652  1
  P  P256  1  0.218867  0.118270  0.315462  1
  P  P257  1  0.330315  0.355471  0.370515  1
  P  P258  1  0.112187  0.879843  0.258652  1
  P  P259  1  0.885534  0.784936  0.315462  1
  P  P260  1  0.778854  0.546510  0.258652  1
  P  P261  1  0.552200  0.451603  0.315462  1
  P  P262  1  0.809307  0.228777  0.324060  1
  P  P263  1  0.475974  0.895444  0.324060  1
  P  P264  1  0.582627  0.128652  0.381399  1
  P  P265  1  0.033807  0.328577  0.267178  1
  P  P266  1  0.142640  0.562111  0.324060  1
  P  P267  1  0.249294  0.795319  0.381399  1
  P  P268  1  0.700474  0.995244  0.267178  1
  P  P269  1  0.915961  0.461986  0.381399  1
  P  P270  1  0.367140  0.661911  0.267178  1
  P  P271  1  0.641569  0.537182  0.246026  1
  P  P272  1  0.308236  0.203848  0.246026  1
  P  P273  1  0.422793  0.439059  0.298800  1
  P  P274  1  0.199331  0.341437  0.356573  1
  P  P275  1  0.974902  0.870515  0.246026  1
  P  P276  1  0.089459  0.105725  0.298800  1
  P  P277  1  0.865998  0.008104  0.356573  1
  P  P278  1  0.756126  0.772392  0.298800  1
  P  P279  1  0.532665  0.674770  0.356573  1
  P  P280  1  0.840488  0.332825  0.288152  1
  P  P281  1  0.507155  0.999492  0.288152  1
  P  P282  1  0.616160  0.231976  0.346283  1
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  P  P669  1  0.011073  0.609099  0.635260  1
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  P  P810  1  0.020271  0.990253  0.650086  1
