# generated using pymatgen
data_FeP4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.64350725
_cell_length_b   47.78246586
_cell_length_c   55.22426857
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   88.50992580
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeP4
_chemical_formula_sum   'Fe72 P288'
_cell_volume   17524.6381776
_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  0.744610  0.425116  0.321784  1
  Fe  Fe2  1  0.838910  0.091520  0.290825  1
  Fe  Fe3  1  0.652094  0.755151  0.355495  1
  Fe  Fe4  1  0.694996  0.583676  0.390489  1
  Fe  Fe5  1  0.776495  0.254079  0.353846  1
  Fe  Fe6  1  0.855540  0.926537  0.319120  1
  Fe  Fe7  1  0.262168  0.315167  0.360868  1
  Fe  Fe8  1  0.321844  0.988693  0.320166  1
  Fe  Fe9  1  0.435052  0.661098  0.296438  1
  Fe  Fe10  1  0.228970  0.489640  0.328490  1
  Fe  Fe11  1  0.309810  0.163027  0.295626  1
  Fe  Fe12  1  0.140475  0.816608  0.365430  1
  Fe  Fe13  1  0.973903  0.374015  0.338009  1
  Fe  Fe14  1  0.074282  0.042054  0.307938  1
  Fe  Fe15  1  0.934541  0.697814  0.377555  1
  Fe  Fe16  1  0.433949  0.533873  0.355209  1
  Fe  Fe17  1  0.526404  0.204674  0.319842  1
  Fe  Fe18  1  0.660412  0.877454  0.295256  1
  Fe  Fe19  1  0.480881  0.410650  0.431190  1
  Fe  Fe20  1  0.562224  0.082880  0.393707  1
  Fe  Fe21  1  0.391095  0.738442  0.468589  1
  Fe  Fe22  1  0.425201  0.565073  0.499771  1
  Fe  Fe23  1  0.518334  0.237192  0.463506  1
  Fe  Fe24  1  0.610692  0.911109  0.430447  1
  Fe  Fe25  1  0.001472  0.300712  0.470483  1
  Fe  Fe26  1  0.087007  0.972580  0.434342  1
  Fe  Fe27  1  0.163896  0.645684  0.395791  1
  Fe  Fe28  1  0.966233  0.470270  0.438274  1
  Fe  Fe29  1  0.049440  0.142104  0.400818  1
  Fe  Fe30  1  0.874842  0.798157  0.474511  1
  Fe  Fe31  1  0.771880  0.352209  0.452749  1
  Fe  Fe32  1  0.853112  0.024207  0.417028  1
  Fe  Fe33  1  0.674061  0.680695  0.489606  1
  Fe  Fe34  1  0.219965  0.520228  0.470980  1
  Fe  Fe35  1  0.311992  0.192445  0.434930  1
  Fe  Fe36  1  0.348545  0.861256  0.393373  1
  Fe  Fe37  1  0.215289  0.393790  0.543940  1
  Fe  Fe38  1  0.305510  0.066314  0.506744  1
  Fe  Fe39  1  0.113609  0.721121  0.579507  1
  Fe  Fe40  1  0.158085  0.548467  0.612350  1
  Fe  Fe41  1  0.248352  0.220830  0.576069  1
  Fe  Fe42  1  0.338859  0.892697  0.537716  1
  Fe  Fe43  1  0.728882  0.283902  0.583752  1
  Fe  Fe44  1  0.820333  0.955986  0.546086  1
  Fe  Fe45  1  0.906278  0.628517  0.507587  1
  Fe  Fe46  1  0.695231  0.453150  0.549750  1
  Fe  Fe47  1  0.786034  0.125768  0.513101  1
  Fe  Fe48  1  0.606372  0.782882  0.589260  1
  Fe  Fe49  1  0.498278  0.336432  0.564630  1
  Fe  Fe50  1  0.590247  0.008419  0.528250  1
  Fe  Fe51  1  0.403334  0.663556  0.601713  1
  Fe  Fe52  1  0.951706  0.503428  0.581941  1
  Fe  Fe53  1  0.044755  0.175870  0.546165  1
  Fe  Fe54  1  0.134737  0.848323  0.508605  1
  Fe  Fe55  1  0.948108  0.379078  0.656648  1
  Fe  Fe56  1  0.029545  0.048477  0.616702  1
  Fe  Fe57  1  0.824875  0.709691  0.687667  1
  Fe  Fe58  1  0.895531  0.530996  0.717071  1
  Fe  Fe59  1  0.966230  0.199179  0.683061  1
  Fe  Fe60  1  0.044468  0.873254  0.649909  1
  Fe  Fe61  1  0.454757  0.270875  0.690883  1
  Fe  Fe62  1  0.535375  0.937836  0.657104  1
  Fe  Fe63  1  0.638130  0.612234  0.619699  1
  Fe  Fe64  1  0.443985  0.440750  0.665149  1
  Fe  Fe65  1  0.525408  0.110316  0.627825  1
  Fe  Fe66  1  0.320513  0.759269  0.692777  1
  Fe  Fe67  1  0.222368  0.318938  0.676110  1
  Fe  Fe68  1  0.313774  0.989158  0.640585  1
  Fe  Fe69  1  0.131113  0.641059  0.699401  1
  Fe  Fe70  1  0.673554  0.488640  0.688149  1
  Fe  Fe71  1  0.742797  0.155445  0.657549  1
  Fe  Fe72  1  0.820490  0.827905  0.619118  1
  P  P73  1  0.728903  0.461751  0.290209  1
  P  P74  1  0.559985  0.118104  0.362467  1
  P  P75  1  0.650979  0.791482  0.325397  1
  P  P76  1  0.941052  0.627146  0.317998  1
  P  P77  1  0.006896  0.296630  0.284696  1
  P  P78  1  0.846210  0.952748  0.355146  1
  P  P79  1  0.507125  0.295258  0.284706  1
  P  P80  1  0.343664  0.953074  0.354075  1
  P  P81  1  0.443213  0.624189  0.319615  1
  P  P82  1  0.228309  0.463324  0.290245  1
  P  P83  1  0.060121  0.117200  0.362630  1
  P  P84  1  0.151392  0.791039  0.326157  1
  P  P85  1  0.982674  0.454689  0.340311  1
  P  P86  1  0.075611  0.123616  0.298476  1
  P  P87  1  0.897674  0.782021  0.377170  1
  P  P88  1  0.515956  0.286957  0.340707  1
  P  P89  1  0.580632  0.957188  0.300906  1
  P  P90  1  0.427647  0.615678  0.377435  1
  P  P91  1  0.690234  0.568511  0.346431  1
  P  P92  1  0.774261  0.239713  0.309420  1
  P  P93  1  0.608301  0.895610  0.386442  1
  P  P94  1  0.729889  0.400460  0.359654  1
  P  P95  1  0.818120  0.072223  0.326679  1
  P  P96  1  0.909324  0.750994  0.286927  1
  P  P97  1  0.207636  0.501778  0.370691  1
  P  P98  1  0.291733  0.170995  0.335005  1
  P  P99  1  0.414841  0.845794  0.293113  1
  P  P100  1  0.247435  0.342977  0.321151  1
  P  P101  1  0.325305  0.018311  0.284064  1
  P  P102  1  0.176830  0.670534  0.356862  1
  P  P103  1  0.467309  0.519497  0.313152  1
  P  P104  1  0.537016  0.191567  0.277128  1
  P  P105  1  0.379840  0.845359  0.352315  1
  P  P106  1  0.993135  0.342615  0.374790  1
  P  P107  1  0.070903  0.012618  0.340138  1
  P  P108  1  0.169750  0.688855  0.298059  1
  P  P109  1  0.714687  0.575388  0.289251  1
  P  P110  1  0.525819  0.223532  0.361614  1
  P  P111  1  0.615138  0.897973  0.330289  1
  P  P112  1  0.993155  0.400795  0.300731  1
  P  P113  1  0.832551  0.054662  0.380906  1
  P  P114  1  0.922538  0.728797  0.340913  1
  P  P115  1  0.187665  0.567797  0.347008  1
  P  P116  1  0.274702  0.239708  0.309915  1
  P  P117  1  0.107223  0.895982  0.382729  1
  P  P118  1  0.234193  0.399133  0.357005  1
  P  P119  1  0.327889  0.071516  0.322507  1
  P  P120  1  0.414446  0.748395  0.287701  1
  P  P121  1  0.712410  0.504314  0.368104  1
  P  P122  1  0.794455  0.173064  0.331656  1
  P  P123  1  0.910120  0.845539  0.297053  1
  P  P124  1  0.746774  0.343623  0.320775  1
  P  P125  1  0.824688  0.016608  0.287027  1
  P  P126  1  0.676258  0.671603  0.358555  1
  P  P127  1  0.488489  0.401377  0.303930  1
  P  P128  1  0.323468  0.055438  0.378999  1
  P  P129  1  0.412956  0.727499  0.341259  1
  P  P130  1  0.209147  0.574471  0.290299  1
  P  P131  1  0.032185  0.223664  0.361705  1
  P  P132  1  0.135070  0.898296  0.323827  1
  P  P133  1  0.501688  0.342152  0.375709  1
  P  P134  1  0.574932  0.012970  0.338708  1
  P  P135  1  0.684000  0.689479  0.300256  1
  P  P136  1  0.962920  0.518624  0.315493  1
  P  P137  1  0.037873  0.188477  0.281406  1
  P  P138  1  0.872837  0.845560  0.355352  1
  P  P139  1  0.482145  0.455482  0.340442  1
  P  P140  1  0.573390  0.126202  0.297697  1
  P  P141  1  0.397866  0.782699  0.377018  1
  P  P142  1  0.928372  0.616547  0.376193  1
  P  P143  1  0.013758  0.288112  0.340635  1
  P  P144  1  0.079840  0.959492  0.299816  1
  P  P145  1  0.476263  0.446162  0.399667  1
  P  P146  1  0.307034  0.101436  0.474578  1
  P  P147  1  0.390039  0.773569  0.436562  1
  P  P148  1  0.683057  0.608309  0.428871  1
  P  P149  1  0.768977  0.279915  0.392095  1
  P  P150  1  0.599564  0.936181  0.467333  1
  P  P151  1  0.268128  0.279248  0.392087  1
  P  P152  1  0.099642  0.936123  0.466761  1
  P  P153  1  0.180680  0.608707  0.428422  1
  P  P154  1  0.976327  0.445520  0.399676  1
  P  P155  1  0.805791  0.100997  0.474584  1
  P  P156  1  0.888526  0.773006  0.436528  1
  P  P157  1  0.730144  0.437064  0.451847  1
  P  P158  1  0.813078  0.109264  0.414962  1
  P  P159  1  0.641643  0.765047  0.488951  1
  P  P160  1  0.265873  0.271098  0.451907  1
  P  P161  1  0.348883  0.942942  0.414819  1
  P  P162  1  0.171240  0.599030  0.488288  1
  P  P163  1  0.446336  0.552863  0.456711  1
  P  P164  1  0.540176  0.224645  0.420396  1
  P  P165  1  0.360666  0.880760  0.494528  1
  P  P166  1  0.493392  0.382369  0.469710  1
  P  P167  1  0.575808  0.054930  0.433236  1
  P  P168  1  0.660969  0.727577  0.394876  1
  P  P169  1  0.966752  0.485470  0.481446  1
  P  P170  1  0.053528  0.157732  0.444666  1
  P  P171  1  0.120899  0.829018  0.408168  1
  P  P172  1  0.016101  0.325328  0.431567  1
  P  P173  1  0.100034  0.997509  0.396374  1
  P  P174  1  0.920255  0.653556  0.469373  1
  P  P175  1  0.215653  0.501043  0.429145  1
  P  P176  1  0.302854  0.172917  0.393100  1
  P  P177  1  0.128283  0.828857  0.466602  1
  P  P178  1  0.743267  0.324672  0.488466  1
  P  P179  1  0.828786  0.997091  0.451982  1
  P  P180  1  0.908405  0.669871  0.413301  1
  P  P181  1  0.444369  0.552692  0.398330  1
  P  P182  1  0.274394  0.208559  0.475353  1
  P  P183  1  0.354053  0.880407  0.436195  1
  P  P184  1  0.750854  0.383399  0.416339  1
  P  P185  1  0.572395  0.039355  0.491242  1
  P  P186  1  0.656541  0.711666  0.452809  1
  P  P187  1  0.943455  0.550534  0.458588  1
  P  P188  1  0.036439  0.222611  0.421710  1
  P  P189  1  0.857267  0.878655  0.496072  1
  P  P190  1  0.996092  0.382258  0.470287  1
  P  P191  1  0.080221  0.054747  0.434272  1
  P  P192  1  0.161828  0.727285  0.395531  1
  P  P193  1  0.468138  0.486287  0.481384  1
  P  P194  1  0.556100  0.158248  0.445281  1
  P  P195  1  0.622435  0.830647  0.406960  1
  P  P196  1  0.511682  0.326490  0.433451  1
  P  P197  1  0.595120  0.998468  0.397085  1
  P  P198  1  0.417502  0.654647  0.470269  1
  P  P199  1  0.243232  0.383814  0.415228  1
  P  P200  1  0.066292  0.039242  0.491450  1
  P  P201  1  0.150894  0.711538  0.453031  1
  P  P202  1  0.950634  0.553428  0.399571  1
  P  P203  1  0.783190  0.208653  0.474542  1
  P  P204  1  0.866171  0.880352  0.437206  1
  P  P205  1  0.251432  0.325103  0.487669  1
  P  P206  1  0.337248  0.997409  0.451117  1
  P  P207  1  0.416447  0.670246  0.412427  1
  P  P208  1  0.710317  0.500630  0.428282  1
  P  P209  1  0.795685  0.172537  0.391677  1
  P  P210  1  0.620238  0.828687  0.466104  1
  P  P211  1  0.230155  0.438335  0.451851  1
  P  P212  1  0.313871  0.110499  0.414967  1
  P  P213  1  0.141823  0.766582  0.488704  1
  P  P214  1  0.671635  0.599168  0.488217  1
  P  P215  1  0.766634  0.271139  0.451737  1
  P  P216  1  0.851240  0.943377  0.414993  1
  P  P217  1  0.216224  0.428731  0.511416  1
  P  P218  1  0.034861  0.084590  0.585912  1
  P  P219  1  0.118753  0.756712  0.547722  1
  P  P220  1  0.421935  0.590728  0.539860  1
  P  P221  1  0.515599  0.262820  0.503694  1
  P  P222  1  0.329317  0.917660  0.578068  1
  P  P223  1  0.014213  0.264307  0.503952  1
  P  P224  1  0.829388  0.919046  0.578440  1
  P  P225  1  0.920825  0.591888  0.540196  1
  P  P226  1  0.715075  0.428487  0.511310  1
  P  P227  1  0.533041  0.084943  0.586991  1
  P  P228  1  0.617586  0.757266  0.548529  1
  P  P229  1  0.462433  0.420265  0.564349  1
  P  P230  1  0.556280  0.092618  0.527282  1
  P  P231  1  0.364052  0.747819  0.599581  1
  P  P232  1  0.992770  0.254583  0.564328  1
  P  P233  1  0.083166  0.926647  0.526524  1
  P  P234  1  0.902149  0.582395  0.599802  1
  P  P235  1  0.178568  0.535743  0.569300  1
  P  P236  1  0.269622  0.208220  0.533242  1
  P  P237  1  0.063820  0.861630  0.607230  1
  P  P238  1  0.224658  0.366322  0.582531  1
  P  P239  1  0.317057  0.038428  0.545602  1
  P  P240  1  0.401503  0.710678  0.507087  1
  P  P241  1  0.695947  0.469030  0.592576  1
  P  P242  1  0.789657  0.141332  0.556516  1
  P  P243  1  0.878784  0.813638  0.518211  1
  P  P244  1  0.743575  0.308897  0.545040  1
  P  P245  1  0.833887  0.981251  0.508011  1
  P  P246  1  0.651494  0.636884  0.581397  1
  P  P247  1  0.945700  0.483993  0.540235  1
  P  P248  1  0.036797  0.156642  0.503993  1
  P  P249  1  0.846938  0.811509  0.576891  1
  P  P250  1  0.471478  0.308831  0.600279  1
  P  P251  1  0.559894  0.979830  0.563300  1
  P  P252  1  0.646501  0.652458  0.524999  1
  P  P253  1  0.184029  0.536252  0.511710  1
  P  P254  1  0.007314  0.191537  0.586982  1
  P  P255  1  0.097136  0.863833  0.549457  1
  P  P256  1  0.483675  0.367120  0.527940  1
  P  P257  1  0.295204  0.021233  0.602923  1
  P  P258  1  0.385459  0.694581  0.564652  1
  P  P259  1  0.675858  0.534013  0.569697  1
  P  P260  1  0.767273  0.206242  0.534059  1
  P  P261  1  0.566162  0.860910  0.607520  1
  P  P262  1  0.726784  0.366006  0.582841  1
  P  P263  1  0.820152  0.038081  0.545633  1
  P  P264  1  0.903030  0.710437  0.507173  1
  P  P265  1  0.197001  0.469498  0.593395  1
  P  P266  1  0.290950  0.141920  0.557342  1
  P  P267  1  0.380162  0.814154  0.518993  1
  P  P268  1  0.241182  0.310112  0.545739  1
  P  P269  1  0.330510  0.982482  0.508929  1
  P  P270  1  0.149221  0.637635  0.581976  1
  P  P271  1  0.977608  0.366775  0.528092  1
  P  P272  1  0.786237  0.021695  0.602033  1
  P  P273  1  0.876233  0.694374  0.564090  1
  P  P274  1  0.691997  0.536473  0.510674  1
  P  P275  1  0.514337  0.192001  0.587119  1
  P  P276  1  0.605307  0.864111  0.548462  1
  P  P277  1  0.980146  0.308654  0.600357  1
  P  P278  1  0.069649  0.980292  0.563094  1
  P  P279  1  0.156213  0.653110  0.524285  1
  P  P280  1  0.439907  0.483698  0.540521  1
  P  P281  1  0.530608  0.156267  0.504411  1
  P  P282  1  0.341869  0.811189  0.578182  1
  P  P283  1  0.962275  0.421771  0.563731  1
  P  P284  1  0.056792  0.094510  0.526785  1
  P  P285  1  0.861489  0.748729  0.599674  1
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  P  P301  1  0.199379  0.406201  0.677994  1
  P  P302  1  0.283870  0.074889  0.637866  1
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  P  P304  1  0.703476  0.234837  0.678754  1
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  P  P309  1  0.840055  0.847094  0.717755  1
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  P  P312  1  0.120365  0.692953  0.618486  1
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  P  P314  1  0.509601  0.121465  0.671088  1
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  P  P318  1  0.395320  0.613635  0.693698  1
  P  P319  1  0.688474  0.468303  0.650899  1
  P  P320  1  0.763827  0.139377  0.615574  1
  P  P321  1  0.600364  0.788636  0.693326  1
  P  P322  1  0.218870  0.293543  0.714859  1
  P  P323  1  0.286674  0.961916  0.677832  1
  P  P324  1  0.378346  0.635885  0.637722  1
  P  P325  1  0.914229  0.519529  0.622191  1
  P  P326  1  0.741692  0.170555  0.700848  1
  P  P327  1  0.804536  0.844074  0.661338  1
  P  P328  1  0.212667  0.351335  0.640536  1
  P  P329  1  0.020136  0.008086  0.713083  1
  P  P330  1  0.132892  0.681058  0.678977  1
  P  P331  1  0.409520  0.521618  0.681295  1
  P  P332  1  0.481482  0.188697  0.646609  1
  P  P333  1  0.342921  0.845706  0.715498  1
  P  P334  1  0.460289  0.349136  0.692967  1
  P  P335  1  0.545432  0.019254  0.655913  1
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  P  P339  1  0.087253  0.795739  0.629619  1
  P  P340  1  0.963868  0.292801  0.657818  1
  P  P341  1  0.046875  0.964620  0.621225  1
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  P  P344  1  0.522447  0.007489  0.712078  1
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  P  P346  1  0.424755  0.519780  0.622563  1
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