# generated using pymatgen
data_FeP4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.77151255
_cell_length_b   31.13772748
_cell_length_c   61.12197852
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.87149214
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeP4
_chemical_formula_sum   'Fe48 P192'
_cell_volume   12886.0485945
_cell_formula_units_Z   48
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  0.486937  0.253239  0.339017  1
  Fe  Fe2  1  0.485140  0.791881  0.472416  1
  Fe  Fe3  1  0.486106  0.521971  0.405193  1
  Fe  Fe4  1  0.982301  0.068712  0.352897  1
  Fe  Fe5  1  0.985626  0.610747  0.487597  1
  Fe  Fe6  1  0.987025  0.339350  0.421790  1
  Fe  Fe7  1  0.718866  0.289061  0.377255  1
  Fe  Fe8  1  0.738142  0.027130  0.321052  1
  Fe  Fe9  1  0.715791  0.560314  0.443184  1
  Fe  Fe10  1  0.218053  0.152837  0.346140  1
  Fe  Fe11  1  0.214444  0.693452  0.479698  1
  Fe  Fe12  1  0.214807  0.421880  0.413493  1
  Fe  Fe13  1  0.986623  0.156608  0.439167  1
  Fe  Fe14  1  0.988047  0.886685  0.372275  1
  Fe  Fe15  1  0.983726  0.614694  0.311574  1
  Fe  Fe16  1  0.485883  0.975457  0.454629  1
  Fe  Fe17  1  0.487618  0.703821  0.386896  1
  Fe  Fe18  1  0.500767  0.429638  0.324809  1
  Fe  Fe19  1  0.215953  0.195421  0.477274  1
  Fe  Fe20  1  0.216020  0.925451  0.410116  1
  Fe  Fe21  1  0.216554  0.654848  0.344112  1
  Fe  Fe22  1  0.716331  0.057795  0.446393  1
  Fe  Fe23  1  0.715219  0.786701  0.379625  1
  Fe  Fe24  1  0.708956  0.510255  0.317297  1
  Fe  Fe25  1  0.487923  0.062351  0.539227  1
  Fe  Fe26  1  0.455647  0.594400  0.670324  1
  Fe  Fe27  1  0.461342  0.326051  0.605849  1
  Fe  Fe28  1  0.983863  0.880906  0.555546  1
  Fe  Fe29  1  0.983868  0.425719  0.681507  1
  Fe  Fe30  1  0.993340  0.152654  0.621600  1
  Fe  Fe31  1  0.714987  0.101586  0.577383  1
  Fe  Fe32  1  0.714497  0.830523  0.510519  1
  Fe  Fe33  1  0.741658  0.379701  0.649271  1
  Fe  Fe34  1  0.214934  0.962939  0.546824  1
  Fe  Fe35  1  0.208339  0.512912  0.673810  1
  Fe  Fe36  1  0.228609  0.241687  0.614088  1
  Fe  Fe37  1  0.982259  0.967824  0.639205  1
  Fe  Fe38  1  0.982911  0.697676  0.572477  1
  Fe  Fe39  1  0.983867  0.426951  0.505706  1
  Fe  Fe40  1  0.483772  0.786333  0.655108  1
  Fe  Fe41  1  0.484872  0.515261  0.586851  1
  Fe  Fe42  1  0.484863  0.245975  0.521894  1
  Fe  Fe43  1  0.211810  0.013227  0.672787  1
  Fe  Fe44  1  0.211150  0.736365  0.611224  1
  Fe  Fe45  1  0.214028  0.464998  0.543682  1
  Fe  Fe46  1  0.707927  0.870082  0.648244  1
  Fe  Fe47  1  0.710570  0.598477  0.579490  1
  Fe  Fe48  1  0.714013  0.327850  0.513460  1
  P  P49  1  0.976353  0.314015  0.354570  1
  P  P50  1  0.971264  0.855797  0.487830  1
  P  P51  1  0.973032  0.584954  0.420571  1
  P  P52  1  0.470431  0.132978  0.369745  1
  P  P53  1  0.481062  0.861974  0.305542  1
  P  P54  1  0.471263  0.403001  0.437653  1
  P  P55  1  0.972903  0.267142  0.404366  1
  P  P56  1  0.991634  0.995596  0.336290  1
  P  P57  1  0.971364  0.538383  0.470506  1
  P  P58  1  0.976804  0.134487  0.372122  1
  P  P59  1  0.982860  0.862599  0.306459  1
  P  P60  1  0.973979  0.404685  0.439652  1
  P  P61  1  0.481919  0.268624  0.404004  1
  P  P62  1  0.483450  0.999246  0.338107  1
  P  P63  1  0.479838  0.539844  0.470106  1
  P  P64  1  0.730416  0.044554  0.379484  1
  P  P65  1  0.722453  0.774263  0.313308  1
  P  P66  1  0.725912  0.313225  0.445762  1
  P  P67  1  0.727709  0.176367  0.413335  1
  P  P68  1  0.733290  0.906374  0.346018  1
  P  P69  1  0.725195  0.447406  0.480175  1
  P  P70  1  0.469436  0.184173  0.319613  1
  P  P71  1  0.472566  0.720815  0.453949  1
  P  P72  1  0.475736  0.449874  0.388351  1
  P  P73  1  0.229364  0.226044  0.362912  1
  P  P74  1  0.226494  0.766634  0.496618  1
  P  P75  1  0.228017  0.496048  0.429524  1
  P  P76  1  0.230037  0.176869  0.413014  1
  P  P77  1  0.234486  0.905584  0.346500  1
  P  P78  1  0.227701  0.447460  0.479638  1
  P  P79  1  0.985141  0.184118  0.321388  1
  P  P80  1  0.980910  0.721159  0.454766  1
  P  P81  1  0.983566  0.450868  0.388426  1
  P  P82  1  0.228556  0.043489  0.377962  1
  P  P83  1  0.230967  0.772995  0.313120  1
  P  P84  1  0.228568  0.312453  0.446007  1
  P  P85  1  0.727359  0.096072  0.328793  1
  P  P86  1  0.727940  0.631362  0.462408  1
  P  P87  1  0.729421  0.360052  0.396757  1
  P  P88  1  0.477388  0.319003  0.354016  1
  P  P89  1  0.474466  0.860063  0.487139  1
  P  P90  1  0.476083  0.589497  0.419524  1
  P  P91  1  0.726177  0.220961  0.361914  1
  P  P92  1  0.726035  0.762167  0.495730  1
  P  P93  1  0.727090  0.491541  0.428956  1
  P  P94  1  0.228973  0.088398  0.325799  1
  P  P95  1  0.227361  0.627667  0.460981  1
  P  P96  1  0.228460  0.356243  0.395368  1
  P  P97  1  0.472506  0.220112  0.454602  1
  P  P98  1  0.474683  0.950464  0.387482  1
  P  P99  1  0.471690  0.678701  0.319669  1
  P  P100  1  0.972085  0.038504  0.470649  1
  P  P101  1  0.971438  0.767737  0.403496  1
  P  P102  1  0.981205  0.493756  0.334822  1
  P  P103  1  0.485528  0.370073  0.303853  1
  P  P104  1  0.471882  0.903292  0.437436  1
  P  P105  1  0.475902  0.631775  0.369499  1
  P  P106  1  0.475333  0.039990  0.472957  1
  P  P107  1  0.474748  0.769240  0.405734  1
  P  P108  1  0.468639  0.495909  0.340292  1
  P  P109  1  0.984977  0.370756  0.306380  1
  P  P110  1  0.980641  0.904820  0.436988  1
  P  P111  1  0.981352  0.634026  0.370533  1
  P  P112  1  0.225725  0.948942  0.478759  1
  P  P113  1  0.228122  0.678324  0.411326  1
  P  P114  1  0.230754  0.406435  0.347054  1
  P  P115  1  0.234987  0.276426  0.312694  1
  P  P116  1  0.226394  0.812240  0.446841  1
  P  P117  1  0.226854  0.541910  0.379173  1
  P  P118  1  0.975603  0.085625  0.420911  1
  P  P119  1  0.973950  0.815243  0.354312  1
  P  P120  1  0.971582  0.355638  0.487720  1
  P  P121  1  0.727895  0.130981  0.463284  1
  P  P122  1  0.728136  0.860952  0.396164  1
  P  P123  1  0.725793  0.586489  0.328632  1
  P  P124  1  0.729216  0.276830  0.312883  1
  P  P125  1  0.728459  0.812529  0.446291  1
  P  P126  1  0.732523  0.540874  0.378976  1
  P  P127  1  0.481240  0.085885  0.421660  1
  P  P128  1  0.481621  0.815386  0.354942  1
  P  P129  1  0.479988  0.356092  0.488587  1
  P  P130  1  0.728070  0.948192  0.479044  1
  P  P131  1  0.728200  0.677620  0.411798  1
  P  P132  1  0.735930  0.405002  0.347597  1
  P  P133  1  0.229288  0.996319  0.429178  1
  P  P134  1  0.228873  0.725355  0.361818  1
  P  P135  1  0.226744  0.266518  0.496685  1
  P  P136  1  0.974999  0.224378  0.453891  1
  P  P137  1  0.976322  0.955089  0.386297  1
  P  P138  1  0.976891  0.683963  0.318063  1
  P  P139  1  0.227416  0.126620  0.462547  1
  P  P140  1  0.227283  0.856448  0.395806  1
  P  P141  1  0.235789  0.583899  0.327309  1
  P  P142  1  0.728893  0.992230  0.428131  1
  P  P143  1  0.728908  0.721232  0.360347  1
  P  P144  1  0.726488  0.262595  0.495210  1
  P  P145  1  0.974050  0.126389  0.554922  1
  P  P146  1  0.964947  0.660163  0.686700  1
  P  P147  1  0.971479  0.397923  0.622189  1
  P  P148  1  0.470613  0.943898  0.570962  1
  P  P149  1  0.470326  0.674058  0.503709  1
  P  P150  1  0.476363  0.217016  0.638107  1
  P  P151  1  0.973790  0.079873  0.604341  1
  P  P152  1  0.969853  0.809178  0.538071  1
  P  P153  1  0.979747  0.352012  0.675542  1
  P  P154  1  0.972249  0.945451  0.573192  1
  P  P155  1  0.973411  0.675452  0.506056  1
  P  P156  1  0.977682  0.218310  0.639631  1
  P  P157  1  0.478411  0.081163  0.603899  1
  P  P158  1  0.479056  0.810669  0.537712  1
  P  P159  1  0.489888  0.353528  0.673502  1
  P  P160  1  0.722916  0.855140  0.580014  1
  P  P161  1  0.724757  0.584106  0.511703  1
  P  P162  1  0.726415  0.126883  0.645174  1
  P  P163  1  0.724202  0.987756  0.613857  1
  P  P164  1  0.723934  0.718274  0.547031  1
  P  P165  1  0.728607  0.259291  0.680440  1
  P  P166  1  0.472766  0.990872  0.521053  1
  P  P167  1  0.465723  0.531762  0.650847  1
  P  P168  1  0.478226  0.261392  0.587775  1
  P  P169  1  0.227752  0.036550  0.563168  1
  P  P170  1  0.210577  0.569578  0.697156  1
  P  P171  1  0.223838  0.310760  0.633029  1
  P  P172  1  0.224781  0.987772  0.612686  1
  P  P173  1  0.226668  0.718468  0.546670  1
  P  P174  1  0.235368  0.257300  0.679865  1
  P  P175  1  0.980526  0.991210  0.521878  1
  P  P176  1  0.967774  0.534502  0.652063  1
  P  P177  1  0.979138  0.263717  0.589777  1
  P  P178  1  0.225817  0.854419  0.580157  1
  P  P179  1  0.227156  0.583545  0.511861  1
  P  P180  1  0.230591  0.126644  0.646121  1
  P  P181  1  0.727349  0.901542  0.529881  1
  P  P182  1  0.714459  0.449582  0.666316  1
  P  P183  1  0.733202  0.172885  0.596490  1
  P  P184  1  0.474507  0.130811  0.554167  1
  P  P185  1  0.469048  0.662130  0.688605  1
  P  P186  1  0.483486  0.399196  0.622265  1
  P  P187  1  0.726877  0.032403  0.562693  1
  P  P188  1  0.706161  0.565862  0.693945  1
  P  P189  1  0.723564  0.307534  0.631484  1
  P  P190  1  0.225668  0.897768  0.528509  1
  P  P191  1  0.237198  0.442133  0.661217  1
  P  P192  1  0.230680  0.171180  0.595822  1
  P  P193  1  0.473540  0.032920  0.653043  1
  P  P194  1  0.468769  0.761584  0.588477  1
  P  P195  1  0.470384  0.490557  0.520858  1
  P  P196  1  0.968051  0.849290  0.671561  1
  P  P197  1  0.966139  0.579293  0.603037  1
  P  P198  1  0.967844  0.309623  0.538096  1
  P  P199  1  0.471441  0.173671  0.504584  1
  P  P200  1  0.467271  0.713508  0.638275  1
  P  P201  1  0.468547  0.442592  0.570785  1
  P  P202  1  0.472046  0.850596  0.675569  1
  P  P203  1  0.466133  0.580629  0.604943  1
  P  P204  1  0.472071  0.311034  0.540157  1
  P  P205  1  0.980724  0.174883  0.504148  1
  P  P206  1  0.972145  0.715344  0.637529  1
  P  P207  1  0.975018  0.444515  0.570038  1
  P  P208  1  0.226108  0.755888  0.678951  1
  P  P209  1  0.222172  0.487973  0.610596  1
  P  P210  1  0.224452  0.220076  0.546065  1
  P  P211  1  0.227260  0.082602  0.513812  1
  P  P212  1  0.215437  0.624315  0.646348  1
  P  P213  1  0.220826  0.353474  0.581370  1
  P  P214  1  0.969311  0.897086  0.622549  1
  P  P215  1  0.969812  0.626433  0.553911  1
  P  P216  1  0.977797  0.165757  0.686703  1
  P  P217  1  0.727853  0.944230  0.665518  1
  P  P218  1  0.723152  0.671965  0.596371  1
  P  P219  1  0.724813  0.401323  0.529821  1
  P  P220  1  0.729701  0.082837  0.513431  1
  P  P221  1  0.713833  0.623002  0.645850  1
  P  P222  1  0.721443  0.353379  0.581225  1
  P  P223  1  0.474723  0.898377  0.624221  1
  P  P224  1  0.477916  0.626752  0.554589  1
  P  P225  1  0.481427  0.167102  0.687483  1
  P  P226  1  0.721521  0.757168  0.679664  1
  P  P227  1  0.725251  0.487689  0.611660  1
  P  P228  1  0.729087  0.218853  0.546017  1
  P  P229  1  0.225044  0.807193  0.630670  1
  P  P230  1  0.224646  0.536501  0.562060  1
  P  P231  1  0.222756  0.072651  0.695572  1
  P  P232  1  0.964972  0.038289  0.652939  1
  P  P233  1  0.971671  0.765857  0.587616  1
  P  P234  1  0.974107  0.495026  0.519947  1
  P  P235  1  0.222280  0.941447  0.665156  1
  P  P236  1  0.223020  0.668133  0.595617  1
  P  P237  1  0.224457  0.396719  0.528986  1
  P  P238  1  0.722619  0.804030  0.629279  1
  P  P239  1  0.724531  0.532611  0.560909  1
  P  P240  1  0.719271  0.075189  0.693589  1
