# generated using pymatgen
data_FeP4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.44576036
_cell_length_b   22.52132132
_cell_length_c   57.56599359
_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   'Fe90 P360'
_cell_volume   21321.3072901
_cell_formula_units_Z   90
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  0.574731  0.316412  0.278928  1
  Fe  Fe2  1  0.571365  0.913144  0.253483  1
  Fe  Fe3  1  0.577379  0.709735  0.308968  1
  Fe  Fe4  1  0.077224  0.178288  0.321080  1
  Fe  Fe5  1  0.078833  0.784394  0.291572  1
  Fe  Fe6  1  0.077807  0.382496  0.266275  1
  Fe  Fe7  1  0.893761  0.082191  0.278034  1
  Fe  Fe8  1  0.884837  0.693499  0.252712  1
  Fe  Fe9  1  0.888846  0.482913  0.306416  1
  Fe  Fe10  1  0.414452  0.226122  0.240485  1
  Fe  Fe11  1  0.393575  1.012798  0.293276  1
  Fe  Fe12  1  0.397102  0.618039  0.263602  1
  Fe  Fe13  1  0.733574  0.095300  0.307505  1
  Fe  Fe14  1  0.734831  0.699928  0.278032  1
  Fe  Fe15  1  0.719269  0.308885  0.254564  1
  Fe  Fe16  1  0.242174  0.995166  0.267022  1
  Fe  Fe17  1  0.233805  0.792305  0.322881  1
  Fe  Fe18  1  0.232659  0.396988  0.292511  1
  Fe  Fe19  1  0.570938  0.500991  0.370973  1
  Fe  Fe20  1  0.577235  0.105746  0.337994  1
  Fe  Fe21  1  0.577640  0.894797  0.400645  1
  Fe  Fe22  1  0.076734  0.363578  0.413865  1
  Fe  Fe23  1  0.077059  0.968475  0.383188  1
  Fe  Fe24  1  0.076413  0.573281  0.352116  1
  Fe  Fe25  1  0.890964  0.270951  0.367655  1
  Fe  Fe26  1  0.891492  0.876022  0.336931  1
  Fe  Fe27  1  0.890522  0.666272  0.398747  1
  Fe  Fe28  1  0.389721  0.407763  0.323361  1
  Fe  Fe29  1  0.397702  0.198290  0.386166  1
  Fe  Fe30  1  0.390563  0.802451  0.354692  1
  Fe  Fe31  1  0.734328  0.280800  0.399375  1
  Fe  Fe32  1  0.733485  0.885828  0.369015  1
  Fe  Fe33  1  0.738989  0.490275  0.336581  1
  Fe  Fe34  1  0.228175  0.187633  0.351231  1
  Fe  Fe35  1  0.234493  0.978279  0.414829  1
  Fe  Fe36  1  0.227245  0.582608  0.382611  1
  Fe  Fe37  1  0.577574  0.684960  0.462223  1
  Fe  Fe38  1  0.578002  0.290111  0.431153  1
  Fe  Fe39  1  0.577616  0.080392  0.492691  1
  Fe  Fe40  1  0.077292  0.549111  0.506191  1
  Fe  Fe41  1  0.077705  0.154187  0.475269  1
  Fe  Fe42  1  0.076986  0.758866  0.444578  1
  Fe  Fe43  1  0.891365  0.456552  0.460054  1
  Fe  Fe44  1  0.891595  0.061545  0.429145  1
  Fe  Fe45  1  0.891475  0.851420  0.490658  1
  Fe  Fe46  1  0.396115  0.592998  0.417306  1
  Fe  Fe47  1  0.391524  0.382856  0.477361  1
  Fe  Fe48  1  0.391628  0.987804  0.446503  1
  Fe  Fe49  1  0.734653  0.465970  0.491809  1
  Fe  Fe50  1  0.734549  0.070930  0.460914  1
  Fe  Fe51  1  0.734361  0.675586  0.430334  1
  Fe  Fe52  1  0.234525  0.373139  0.445537  1
  Fe  Fe53  1  0.234814  0.163714  0.506996  1
  Fe  Fe54  1  0.234512  0.768040  0.476293  1
  Fe  Fe55  1  0.577780  0.870251  0.554218  1
  Fe  Fe56  1  0.577562  0.475120  0.523530  1
  Fe  Fe57  1  0.571894  0.266686  0.586271  1
  Fe  Fe58  1  0.078325  0.733253  0.598939  1
  Fe  Fe59  1  0.077083  0.338929  0.567578  1
  Fe  Fe60  1  0.077334  0.944291  0.536461  1
  Fe  Fe61  1  0.892198  0.641699  0.552716  1
  Fe  Fe62  1  0.891929  0.246795  0.521341  1
  Fe  Fe63  1  0.892138  1.036280  0.583204  1
  Fe  Fe64  1  0.391451  0.777361  0.508199  1
  Fe  Fe65  1  0.397309  0.568922  0.571325  1
  Fe  Fe66  1  0.391550  0.172998  0.538672  1
  Fe  Fe67  1  0.735217  0.651268  0.584777  1
  Fe  Fe68  1  0.740640  0.256113  0.551864  1
  Fe  Fe69  1  0.734090  0.860840  0.522521  1
  Fe  Fe70  1  0.228588  0.558406  0.536757  1
  Fe  Fe71  1  0.234744  0.349023  0.599704  1
  Fe  Fe72  1  0.228424  0.953942  0.566865  1
  Fe  Fe73  1  0.578069  1.057245  0.646199  1
  Fe  Fe74  1  0.581506  0.659439  0.615553  1
  Fe  Fe75  1  0.584417  0.449263  0.669474  1
  Fe  Fe76  1  0.073255  0.922704  0.683909  1
  Fe  Fe77  1  0.075191  0.523778  0.658942  1
  Fe  Fe78  1  0.077193  0.129694  0.629263  1
  Fe  Fe79  1  0.894467  0.826343  0.643790  1
  Fe  Fe80  1  0.891065  0.431561  0.613640  1
  Fe  Fe81  1  0.892460  0.221780  0.671190  1
  Fe  Fe82  1  0.398099  0.964344  0.601372  1
  Fe  Fe83  1  0.388653  0.763393  0.657199  1
  Fe  Fe84  1  0.389017  0.357009  0.630818  1
  Fe  Fe85  1  0.743826  0.844301  0.670048  1
  Fe  Fe86  1  0.735204  0.441317  0.644206  1
  Fe  Fe87  1  0.735080  1.047305  0.614576  1
  Fe  Fe88  1  0.235300  0.743892  0.629754  1
  Fe  Fe89  1  0.220324  0.530327  0.682730  1
  Fe  Fe90  1  0.230097  0.139224  0.659042  1
  P  P91  1  0.485853  0.248579  0.299190  1
  P  P92  1  0.483633  0.849703  0.270028  1
  P  P93  1  0.479367  0.461541  0.240258  1
  P  P94  1  0.983772  0.244747  0.300607  1
  P  P95  1  0.983928  0.849959  0.270262  1
  P  P96  1  0.983278  0.639556  0.331480  1
  P  P97  1  0.980505  0.151106  0.255814  1
  P  P98  1  -0.015613  0.942511  0.316093  1
  P  P99  1  0.983460  0.547594  0.284846  1
  P  P100  1  0.485351  0.149283  0.251858  1
  P  P101  1  0.482424  0.760031  0.226197  1
  P  P102  1  0.483186  0.550550  0.284402  1
  P  P103  1  0.486359  0.094405  0.304810  1
  P  P104  1  0.486730  0.698539  0.276432  1
  P  P105  1  0.487597  0.308581  0.243583  1
  P  P106  1  0.982926  1.004775  0.262156  1
  P  P107  1  -0.013958  0.793327  0.323969  1
  P  P108  1  -0.014926  0.399704  0.294172  1
  P  P109  1  0.152812  0.309184  0.279835  1
  P  P110  1  0.154102  0.923666  0.249441  1
  P  P111  1  0.149790  0.708173  0.310942  1
  P  P112  1  0.650449  0.179589  0.317858  1
  P  P113  1  0.651354  0.782990  0.288599  1
  P  P114  1  0.648418  0.392265  0.256406  1
  P  P115  1  0.315897  0.082363  0.270196  1
  P  P116  1  0.316340  0.688301  0.242562  1
  P  P117  1  0.316284  0.481026  0.302410  1
  P  P118  1  0.818291  0.405591  0.325998  1
  P  P119  1  0.819315  1.011092  0.295776  1
  P  P120  1  0.816289  0.614010  0.263170  1
  P  P121  1  0.316978  0.323877  0.311592  1
  P  P122  1  0.320134  0.925254  0.282323  1
  P  P123  1  0.313881  0.539266  0.249680  1
  P  P124  1  0.814838  0.166976  0.285586  1
  P  P125  1  0.814430  0.776300  0.255361  1
  P  P126  1  0.816955  0.565262  0.317144  1
  P  P127  1  0.150506  0.261870  0.332718  1
  P  P128  1  0.151592  0.865609  0.302664  1
  P  P129  1  0.147885  0.467724  0.269623  1
  P  P130  1  0.646264  0.229714  0.263853  1
  P  P131  1  0.647034  0.845393  0.234710  1
  P  P132  1  0.652169  0.626648  0.296644  1
  P  P133  1  0.152139  0.411304  0.325617  1
  P  P134  1  0.151299  1.015558  0.295027  1
  P  P135  1  0.151847  0.621914  0.264980  1
  P  P136  1  0.655251  0.077645  0.273246  1
  P  P137  1  0.652907  0.690195  0.243700  1
  P  P138  1  0.651413  0.476089  0.304355  1
  P  P139  1  0.316194  0.172814  0.319095  1
  P  P140  1  0.316433  0.776357  0.289771  1
  P  P141  1  0.313737  0.383828  0.258214  1
  P  P142  1  0.817804  0.317711  0.279795  1
  P  P143  1  0.814650  0.925254  0.250715  1
  P  P144  1  0.816044  0.714241  0.310998  1
  P  P145  1  0.649627  0.329759  0.312580  1
  P  P146  1  0.653062  0.933169  0.282800  1
  P  P147  1  0.647070  0.541009  0.251172  1
  P  P148  1  0.150277  0.160546  0.287320  1
  P  P149  1  0.150702  0.771042  0.257329  1
  P  P150  1  0.149710  0.557305  0.317819  1
  P  P151  1  0.816623  0.255767  0.333695  1
  P  P152  1  0.817518  0.860496  0.303297  1
  P  P153  1  0.817431  0.465161  0.271990  1
  P  P154  1  0.316383  0.234434  0.265662  1
  P  P155  1  0.317117  0.839029  0.237433  1
  P  P156  1  0.316440  0.630474  0.296677  1
  P  P157  1  0.481065  0.996606  0.258703  1
  P  P158  1  0.482552  0.608850  0.230342  1
  P  P159  1  0.480969  0.396419  0.290656  1
  P  P160  1  0.981868  0.095771  0.309252  1
  P  P161  1  -0.015615  0.701079  0.278155  1
  P  P162  1  -0.010368  0.315045  0.247119  1
  P  P163  1  0.481722  0.433891  0.390822  1
  P  P164  1  0.483632  1.040208  0.359551  1
  P  P165  1  0.483675  0.643303  0.329726  1
  P  P166  1  0.982667  0.429707  0.393339  1
  P  P167  1  0.982842  1.034432  0.362728  1
  P  P168  1  0.983429  0.825161  0.424020  1
  P  P169  1  -0.015444  0.337216  0.347121  1
  P  P170  1  -0.014671  0.127733  0.408581  1
  P  P171  1  0.983939  0.732381  0.377956  1
  P  P172  1  0.483295  0.341723  0.344726  1
  P  P173  1  0.484146  0.946941  0.314534  1
  P  P174  1  0.483903  0.736242  0.375604  1
  P  P175  1  0.487064  0.280689  0.398163  1
  P  P176  1  0.485597  0.885000  0.367843  1
  P  P177  1  0.484211  0.489321  0.336970  1
  P  P178  1  -0.013790  0.188945  0.354574  1
  P  P179  1  -0.013759  0.978898  0.416217  1
  P  P180  1  -0.014855  0.583732  0.385381  1
  P  P181  1  0.147166  0.497995  0.372254  1
  P  P182  1  0.148273  0.102973  0.341591  1
  P  P183  1  0.149429  0.894236  0.403136  1
  P  P184  1  0.649469  0.365034  0.411071  1
  P  P185  1  0.648894  0.969901  0.380455  1
  P  P186  1  0.649414  0.572424  0.349577  1
  P  P187  1  0.318529  0.269778  0.364668  1
  P  P188  1  0.318181  0.876431  0.334711  1
  P  P189  1  0.317618  0.665033  0.395959  1
  P  P190  1  0.819003  0.591472  0.418631  1
  P  P191  1  0.819356  0.196750  0.387709  1
  P  P192  1  0.818741  0.801989  0.357390  1
  P  P193  1  0.315254  0.511579  0.403925  1
  P  P194  1  0.316382  0.117333  0.373048  1
  P  P195  1  0.316275  0.719233  0.343141  1
  P  P196  1  0.816198  0.353839  0.379215  1
  P  P197  1  0.816293  0.958647  0.348637  1
  P  P198  1  0.816372  0.749061  0.410428  1
  P  P199  1  0.151602  0.446269  0.425551  1
  P  P200  1  0.151972  1.051434  0.394783  1
  P  P201  1  0.149762  0.656660  0.363735  1
  P  P202  1  0.650974  0.419577  0.358061  1
  P  P203  1  0.651653  1.022888  0.327506  1
  P  P204  1  0.651315  0.812025  0.388969  1
  P  P205  1  0.151276  0.596392  0.417125  1
  P  P206  1  0.152217  0.201479  0.386175  1
  P  P207  1  0.151279  0.806259  0.356007  1
  P  P208  1  0.652049  0.267276  0.366144  1
  P  P209  1  0.651616  0.871193  0.335859  1
  P  P210  1  0.651563  0.661701  0.397168  1
  P  P211  1  0.316615  0.359738  0.412247  1
  P  P212  1  0.316813  0.965336  0.381668  1
  P  P213  1  0.314691  0.568423  0.350696  1
  P  P214  1  0.815743  0.503973  0.370969  1
  P  P215  1  0.816221  0.109361  0.340503  1
  P  P216  1  0.816671  0.899422  0.401952  1
  P  P217  1  0.651680  0.514402  0.403442  1
  P  P218  1  0.652070  0.119859  0.372262  1
  P  P219  1  0.651187  0.723002  0.342494  1
  P  P220  1  0.151674  0.348758  0.380279  1
  P  P221  1  0.151726  0.954046  0.349487  1
  P  P222  1  0.151540  0.744346  0.410972  1
  P  P223  1  0.816483  0.442284  0.426395  1
  P  P224  1  0.816351  1.047261  0.395636  1
  P  P225  1  0.816165  0.651413  0.365077  1
  P  P226  1  0.315651  0.420970  0.357174  1
  P  P227  1  0.317675  1.027299  0.327040  1
  P  P228  1  0.316157  0.816308  0.388232  1
  P  P229  1  0.482901  0.187224  0.351802  1
  P  P230  1  0.482523  0.791900  0.322228  1
  P  P231  1  0.481139  0.583244  0.383067  1
  P  P232  1  0.982264  0.281193  0.400761  1
  P  P233  1  0.982188  0.886241  0.370008  1
  P  P234  1  0.981040  0.491561  0.339223  1
  P  P235  1  0.483646  0.618685  0.482692  1
  P  P236  1  0.484121  0.223825  0.451687  1
  P  P237  1  0.483608  0.829042  0.421392  1
  P  P238  1  0.983671  0.615310  0.485630  1
  P  P239  1  0.984038  0.220473  0.454729  1
  P  P240  1  0.983755  1.010504  0.515997  1
  P  P241  1  -0.015043  0.522674  0.439444  1
  P  P242  1  -0.014378  0.312905  0.500875  1
  P  P243  1  -0.014888  0.917727  0.470065  1
  P  P244  1  0.485745  0.525729  0.436721  1
  P  P245  1  0.486266  0.130853  0.405848  1
  P  P246  1  0.485143  0.921496  0.467271  1
  P  P247  1  0.486288  0.465127  0.490566  1
  P  P248  1  0.486484  0.070109  0.459689  1
  P  P249  1  0.486674  0.675676  0.429229  1
  P  P250  1  -0.013715  0.374006  0.446973  1
  P  P251  1  -0.013154  0.164173  0.508315  1
  P  P252  1  -0.013746  0.768934  0.477671  1
  P  P253  1  0.149476  0.684187  0.464496  1
  P  P254  1  0.149617  0.289172  0.433788  1
  P  P255  1  0.150067  0.079728  0.495105  1
  P  P256  1  0.649616  0.549869  0.503552  1
  P  P257  1  0.649806  0.154902  0.472630  1
  P  P258  1  0.649614  0.759637  0.442143  1
  P  P259  1  0.319400  0.457188  0.457166  1
  P  P260  1  0.319597  0.062564  0.426322  1
  P  P261  1  0.319407  0.852074  0.487990  1
  P  P262  1  0.819164  0.776872  0.510850  1
  P  P263  1  0.819340  0.382055  0.479940  1
  P  P264  1  0.819469  0.986944  0.449265  1
  P  P265  1  0.316846  0.694733  0.496449  1
  P  P266  1  0.317233  0.300073  0.465519  1
  P  P267  1  0.316904  0.905022  0.434797  1
  P  P268  1  0.816965  0.539370  0.471876  1
  P  P269  1  0.817261  0.144323  0.440949  1
  P  P270  1  0.816804  0.934139  0.502449  1
  P  P271  1  0.151225  0.632715  0.517683  1
  P  P272  1  0.152356  0.236916  0.487019  1
  P  P273  1  0.151982  0.841458  0.456242  1
  P  P274  1  0.652185  0.602361  0.450374  1
  P  P275  1  0.652603  0.207412  0.419375  1
  P  P276  1  0.652052  0.997580  0.480944  1
  P  P277  1  0.151965  0.781897  0.509361  1
  P  P278  1  0.152233  0.386748  0.478711  1
  P  P279  1  0.152134  0.991904  0.447909  1
  P  P280  1  0.652113  0.452285  0.458633  1
  P  P281  1  0.652265  1.057360  0.427782  1
  P  P282  1  0.651839  0.847331  0.489384  1
  P  P283  1  0.316731  0.544779  0.504810  1
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