# generated using pymatgen
data_FeP4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   19.04240855
_cell_length_b   23.17304048
_cell_length_c   46.82361094
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   113.69505061
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeP4
_chemical_formula_sum   'Fe80 P320'
_cell_volume   18920.0265009
_cell_formula_units_Z   80
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  0.955475  0.298129  0.329049  1
  Fe  Fe2  1  0.455475  0.798129  0.329049  1
  Fe  Fe3  1  0.108441  0.599508  0.293106  1
  Fe  Fe4  1  0.608441  0.099508  0.293106  1
  Fe  Fe5  1  0.633402  0.146150  0.351068  1
  Fe  Fe6  1  0.133402  0.646150  0.351068  1
  Fe  Fe7  1  0.886517  0.387329  0.348926  1
  Fe  Fe8  1  0.386517  0.887329  0.348926  1
  Fe  Fe9  1  0.603040  0.356893  0.291980  1
  Fe  Fe10  1  0.103040  0.856893  0.291980  1
  Fe  Fe11  1  0.462432  0.541778  0.327300  1
  Fe  Fe12  1  0.962432  0.041778  0.327300  1
  Fe  Fe13  1  0.287501  0.195198  0.312392  1
  Fe  Fe14  1  0.787501  0.695198  0.312392  1
  Fe  Fe15  1  0.530674  0.444521  0.310090  1
  Fe  Fe16  1  0.030674  0.944521  0.310090  1
  Fe  Fe17  1  0.658600  0.189639  0.416351  1
  Fe  Fe18  1  0.158600  0.689639  0.416351  1
  Fe  Fe19  1  0.807742  0.494190  0.372455  1
  Fe  Fe20  1  0.307742  0.994190  0.372455  1
  Fe  Fe21  1  0.334824  0.043556  0.445577  1
  Fe  Fe22  1  0.834824  0.543556  0.445577  1
  Fe  Fe23  1  0.579371  0.297507  0.443463  1
  Fe  Fe24  1  0.079371  0.797507  0.443463  1
  Fe  Fe25  1  0.309787  0.242095  0.371207  1
  Fe  Fe26  1  0.809787  0.742095  0.371207  1
  Fe  Fe27  1  0.160780  0.438729  0.417097  1
  Fe  Fe28  1  0.660780  0.938729  0.417097  1
  Fe  Fe29  1  0.985767  0.096779  0.399528  1
  Fe  Fe30  1  0.485767  0.596779  0.399528  1
  Fe  Fe31  1  0.228614  0.348745  0.396942  1
  Fe  Fe32  1  0.728614  0.848745  0.396942  1
  Fe  Fe33  1  0.357350  0.086352  0.507542  1
  Fe  Fe34  1  0.857350  0.586352  0.507542  1
  Fe  Fe35  1  0.509734  0.387023  0.463548  1
  Fe  Fe36  1  0.009734  0.887023  0.463548  1
  Fe  Fe37  1  0.034873  0.941163  0.536819  1
  Fe  Fe38  1  0.534873  0.441163  0.536819  1
  Fe  Fe39  1  0.277749  0.193267  0.533927  1
  Fe  Fe40  1  0.777749  0.693267  0.533927  1
  Fe  Fe41  1  0.007478  0.137735  0.461986  1
  Fe  Fe42  1  0.507478  0.637735  0.461986  1
  Fe  Fe43  1  0.859349  0.335166  0.508552  1
  Fe  Fe44  1  0.359349  0.835166  0.508552  1
  Fe  Fe45  1  0.684101  0.992281  0.490810  1
  Fe  Fe46  1  0.184101  0.492281  0.490810  1
  Fe  Fe47  1  0.928209  0.244910  0.488222  1
  Fe  Fe48  1  0.428209  0.744910  0.488222  1
  Fe  Fe49  1  0.057114  0.983023  0.599104  1
  Fe  Fe50  1  0.557114  0.483023  0.599104  1
  Fe  Fe51  1  0.208344  0.282809  0.554312  1
  Fe  Fe52  1  0.708344  0.782809  0.554312  1
  Fe  Fe53  1  0.731951  0.835686  0.627437  1
  Fe  Fe54  1  0.231951  0.335686  0.627437  1
  Fe  Fe55  1  0.977860  0.090688  0.626298  1
  Fe  Fe56  1  0.477860  0.590688  0.626298  1
  Fe  Fe57  1  0.706194  0.034257  0.552757  1
  Fe  Fe58  1  0.206194  0.534257  0.552757  1
  Fe  Fe59  1  0.559923  0.234308  0.603411  1
  Fe  Fe60  1  0.059923  0.734308  0.603411  1
  Fe  Fe61  1  0.383947  0.889483  0.582343  1
  Fe  Fe62  1  0.883947  0.389483  0.582343  1
  Fe  Fe63  1  0.626921  0.141764  0.579606  1
  Fe  Fe64  1  0.126921  0.641764  0.579606  1
  Fe  Fe65  1  0.754702  0.890858  0.685360  1
  Fe  Fe66  1  0.254702  0.390858  0.685360  1
  Fe  Fe67  1  0.907386  0.180145  0.647554  1
  Fe  Fe68  1  0.407386  0.680145  0.647554  1
  Fe  Fe69  1  0.423021  0.725706  0.704895  1
  Fe  Fe70  1  0.923021  0.225706  0.704895  1
  Fe  Fe71  1  0.681416  0.972915  0.705411  1
  Fe  Fe72  1  0.181416  0.472915  0.705411  1
  Fe  Fe73  1  0.405153  0.932211  0.644994  1
  Fe  Fe74  1  0.905153  0.432211  0.644994  1
  Fe  Fe75  1  0.259106  0.129921  0.687931  1
  Fe  Fe76  1  0.759106  0.629921  0.687931  1
  Fe  Fe77  1  0.079539  0.779205  0.665953  1
  Fe  Fe78  1  0.579539  0.279205  0.665953  1
  Fe  Fe79  1  0.328131  0.038660  0.669101  1
  Fe  Fe80  1  0.828131  0.538660  0.669101  1
  P  P81  1  0.758307  0.146476  0.350568  1
  P  P82  1  0.258307  0.646476  0.350568  1
  P  P83  1  0.908773  0.443244  0.305353  1
  P  P84  1  0.408773  0.943244  0.305353  1
  P  P85  1  0.651579  0.203201  0.304492  1
  P  P86  1  0.151579  0.703201  0.304492  1
  P  P87  1  0.759021  0.393965  0.349082  1
  P  P88  1  0.259021  0.893965  0.349082  1
  P  P89  1  0.507618  0.143354  0.352167  1
  P  P90  1  0.007618  0.643354  0.352167  1
  P  P91  1  0.990874  0.594176  0.282443  1
  P  P92  1  0.490874  0.094176  0.282443  1
  P  P93  1  0.580328  0.298519  0.330534  1
  P  P94  1  0.080328  0.798519  0.330534  1
  P  P95  1  0.012569  0.394878  0.351633  1
  P  P96  1  0.512569  0.894878  0.351633  1
  P  P97  1  0.826903  0.290307  0.323871  1
  P  P98  1  0.326903  0.790307  0.323871  1
  P  P99  1  0.722170  0.352829  0.280690  1
  P  P100  1  0.222170  0.852829  0.280690  1
  P  P101  1  0.158731  0.446253  0.305037  1
  P  P102  1  0.658731  0.946253  0.305037  1
  P  P103  1  0.838343  0.545628  0.327093  1
  P  P104  1  0.338343  0.045628  0.327093  1
  P  P105  1  0.079607  0.538698  0.330803  1
  P  P106  1  0.579607  0.038698  0.330803  1
  P  P107  1  0.911523  0.196155  0.303974  1
  P  P108  1  0.411523  0.696155  0.303974  1
  P  P109  1  0.986283  0.346800  0.283283  1
  P  P110  1  0.486283  0.846800  0.283283  1
  P  P111  1  0.223957  0.599184  0.283620  1
  P  P112  1  0.723957  0.099184  0.283620  1
  P  P113  1  0.413678  0.199537  0.305372  1
  P  P114  1  0.913678  0.699537  0.305372  1
  P  P115  1  0.260043  0.395331  0.350872  1
  P  P116  1  0.760043  0.895331  0.350872  1
  P  P117  1  0.007503  0.146050  0.350587  1
  P  P118  1  0.507503  0.646050  0.350587  1
  P  P119  1  0.407913  0.445745  0.301555  1
  P  P120  1  0.907913  0.945745  0.301555  1
  P  P121  1  0.164083  0.198095  0.305737  1
  P  P122  1  0.664083  0.698095  0.305737  1
  P  P123  1  0.336538  0.546006  0.326191  1
  P  P124  1  0.836538  0.046006  0.326191  1
  P  P125  1  0.231681  0.345289  0.284273  1
  P  P126  1  0.731681  0.845289  0.284273  1
  P  P127  1  0.663246  0.457824  0.305158  1
  P  P128  1  0.163246  0.957824  0.305158  1
  P  P129  1  0.486118  0.349213  0.279701  1
  P  P130  1  0.986118  0.849213  0.279701  1
  P  P131  1  0.083945  0.296166  0.327284  1
  P  P132  1  0.583945  0.796166  0.327284  1
  P  P133  1  0.504870  0.395956  0.352124  1
  P  P134  1  0.004870  0.895956  0.352124  1
  P  P135  1  0.490433  0.594509  0.282283  1
  P  P136  1  0.990433  0.094509  0.282283  1
  P  P137  1  0.743184  0.607344  0.281357  1
  P  P138  1  0.243184  0.107344  0.281357  1
  P  P139  1  0.259641  0.138438  0.352131  1
  P  P140  1  0.759641  0.638438  0.352131  1
  P  P141  1  0.337888  0.299254  0.327114  1
  P  P142  1  0.837888  0.799254  0.327114  1
  P  P143  1  0.587710  0.549694  0.328506  1
  P  P144  1  0.087710  0.049694  0.328506  1
  P  P145  1  0.457090  0.042697  0.441748  1
  P  P146  1  0.957090  0.542697  0.441748  1
  P  P147  1  0.609588  0.344461  0.397999  1
  P  P148  1  0.109588  0.844461  0.397999  1
  P  P149  1  0.357926  0.093984  0.397227  1
  P  P150  1  0.857926  0.593984  0.397227  1
  P  P151  1  0.453259  0.290452  0.440591  1
  P  P152  1  0.953259  0.790452  0.440591  1
  P  P153  1  0.210095  0.040936  0.441744  1
  P  P154  1  0.710095  0.540936  0.441744  1
  P  P155  1  0.682855  0.491127  0.373832  1
  P  P156  1  0.182855  0.991127  0.373832  1
  P  P157  1  0.280895  0.192759  0.418290  1
  P  P158  1  0.780895  0.692759  0.418290  1
  P  P159  1  0.707807  0.292178  0.442358  1
  P  P160  1  0.207807  0.792178  0.442358  1
  P  P161  1  0.533617  0.192518  0.418793  1
  P  P162  1  0.033617  0.692518  0.418793  1
  P  P163  1  0.433473  0.244777  0.373982  1
  P  P164  1  0.933473  0.744777  0.373982  1
  P  P165  1  0.857299  0.341725  0.394559  1
  P  P166  1  0.357299  0.841725  0.394559  1
  P  P167  1  0.534007  0.442794  0.419803  1
  P  P168  1  0.034007  0.942794  0.419803  1
  P  P169  1  0.783899  0.441114  0.418701  1
  P  P170  1  0.283899  0.941114  0.418701  1
  P  P171  1  0.608359  0.089432  0.396334  1
  P  P172  1  0.108359  0.589432  0.396334  1
  P  P173  1  0.684269  0.247125  0.373312  1
  P  P174  1  0.184269  0.747125  0.373312  1
  P  P175  1  0.932338  0.492668  0.373997  1
  P  P176  1  0.432338  0.992668  0.373997  1
  P  P177  1  0.106399  0.093838  0.396099  1
  P  P178  1  0.606399  0.593838  0.396099  1
  P  P179  1  0.957239  0.291768  0.442582  1
  P  P180  1  0.457239  0.791768  0.442582  1
  P  P181  1  0.706634  0.041811  0.442218  1
  P  P182  1  0.206634  0.541811  0.442218  1
  P  P183  1  0.104188  0.341048  0.394733  1
  P  P184  1  0.604188  0.841048  0.394733  1
  P  P185  1  0.860468  0.092691  0.396001  1
  P  P186  1  0.360468  0.592691  0.396001  1
  P  P187  1  0.034559  0.441329  0.419057  1
  P  P188  1  0.534559  0.941329  0.419057  1
  P  P189  1  0.930726  0.243045  0.372370  1
  P  P190  1  0.430726  0.743045  0.372370  1
  P  P191  1  0.356471  0.343829  0.396934  1
  P  P192  1  0.856471  0.843829  0.396934  1
  P  P193  1  0.183511  0.243405  0.372786  1
  P  P194  1  0.683511  0.743405  0.372786  1
  P  P195  1  0.782374  0.191942  0.418273  1
  P  P196  1  0.282374  0.691942  0.418273  1
  P  P197  1  0.207545  0.292315  0.440929  1
  P  P198  1  0.707545  0.792315  0.440929  1
  P  P199  1  0.188215  0.494690  0.373151  1
  P  P200  1  0.688215  0.994690  0.373151  1
  P  P201  1  0.432166  0.493805  0.373039  1
  P  P202  1  0.932166  0.993805  0.373039  1
  P  P203  1  0.958450  0.037695  0.442443  1
  P  P204  1  0.458450  0.537695  0.442443  1
  P  P205  1  0.034579  0.197116  0.419315  1
  P  P206  1  0.534579  0.697116  0.419315  1
  P  P207  1  0.286692  0.446220  0.420494  1
  P  P208  1  0.786692  0.946220  0.420494  1
  P  P209  1  0.156370  0.939447  0.533891  1
  P  P210  1  0.656370  0.439447  0.533891  1
  P  P211  1  0.307137  0.240436  0.488438  1
  P  P212  1  0.807137  0.740436  0.488438  1
  P  P213  1  0.056878  0.990612  0.488315  1
  P  P214  1  0.556878  0.490612  0.488315  1
  P  P215  1  0.152125  0.186438  0.531249  1
  P  P216  1  0.652125  0.686438  0.531249  1
  P  P217  1  0.909479  0.937960  0.533277  1
  P  P218  1  0.409479  0.437960  0.533277  1
  P  P219  1  0.383617  0.389731  0.465463  1
  P  P220  1  0.883617  0.889731  0.465463  1
  P  P221  1  0.980538  0.089541  0.509394  1
  P  P222  1  0.480538  0.589541  0.509394  1
  P  P223  1  0.406368  0.188995  0.533462  1
  P  P224  1  0.906368  0.688995  0.533462  1
  P  P225  1  0.231711  0.088065  0.509540  1
  P  P226  1  0.731711  0.588065  0.509540  1
  P  P227  1  0.132697  0.141025  0.463866  1
  P  P228  1  0.632697  0.641025  0.463866  1
  P  P229  1  0.557646  0.241165  0.486814  1
  P  P230  1  0.057646  0.741165  0.486814  1
  P  P231  1  0.233340  0.338854  0.510333  1
  P  P232  1  0.733340  0.838854  0.510333  1
  P  P233  1  0.482854  0.338250  0.510258  1
  P  P234  1  0.982854  0.838250  0.510258  1
  P  P235  1  0.308723  0.985709  0.488093  1
  P  P236  1  0.808723  0.485709  0.488093  1
  P  P237  1  0.384399  0.145771  0.465080  1
  P  P238  1  0.884399  0.645771  0.465080  1
  P  P239  1  0.636834  0.395219  0.466354  1
  P  P240  1  0.136834  0.895219  0.466354  1
  P  P241  1  0.806258  0.990961  0.487852  1
  P  P242  1  0.306258  0.490961  0.487852  1
  P  P243  1  0.656238  0.189034  0.534055  1
  P  P244  1  0.156238  0.689034  0.534055  1
  P  P245  1  0.406297  0.938533  0.533681  1
  P  P246  1  0.906297  0.438533  0.533681  1
  P  P247  1  0.802569  0.238099  0.485772  1
  P  P248  1  0.302569  0.738099  0.485772  1
  P  P249  1  0.558992  0.989207  0.487361  1
  P  P250  1  0.058992  0.489207  0.487361  1
  P  P251  1  0.733222  0.337867  0.510948  1
  P  P252  1  0.233222  0.837867  0.510948  1
  P  P253  1  0.630792  0.141048  0.463739  1
  P  P254  1  0.130792  0.641048  0.463739  1
  P  P255  1  0.056667  0.240434  0.487736  1
  P  P256  1  0.556667  0.740434  0.487736  1
  P  P257  1  0.881779  0.139668  0.463848  1
  P  P258  1  0.381779  0.639668  0.463848  1
  P  P259  1  0.482546  0.089756  0.509569  1
  P  P260  1  0.982546  0.589756  0.509569  1
  P  P261  1  0.906733  0.188777  0.531920  1
  P  P262  1  0.406733  0.688777  0.531920  1
  P  P263  1  0.884191  0.390478  0.464502  1
  P  P264  1  0.384191  0.890478  0.464502  1
  P  P265  1  0.132646  0.389691  0.464133  1
  P  P266  1  0.632646  0.889691  0.464133  1
  P  P267  1  0.657196  0.933746  0.533499  1
  P  P268  1  0.157196  0.433746  0.533499  1
  P  P269  1  0.733148  0.093807  0.510400  1
  P  P270  1  0.233148  0.593807  0.510400  1
  P  P271  1  0.985685  0.342800  0.511482  1
  P  P272  1  0.485685  0.842800  0.511482  1
  P  P273  1  0.854586  0.835822  0.624898  1
  P  P274  1  0.354586  0.335822  0.624898  1
  P  P275  1  0.006796  0.137269  0.579812  1
  P  P276  1  0.506796  0.637269  0.579812  1
  P  P277  1  0.756281  0.886524  0.578815  1
  P  P278  1  0.256281  0.386524  0.578815  1
  P  P279  1  0.853353  0.085300  0.622149  1
  P  P280  1  0.353353  0.585300  0.622149  1
  P  P281  1  0.609451  0.835563  0.623754  1
  P  P282  1  0.109451  0.335563  0.623754  1
  P  P283  1  0.082534  0.285892  0.556302  1
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