# generated using pymatgen
data_FeP4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   23.70785393
_cell_length_b   15.18070702
_cell_length_c   52.23333869
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   59.06418970
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeP4
_chemical_formula_sum   'Fe64 P256'
_cell_volume   16124.6241585
_cell_formula_units_Z   64
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  0.267730  0.332052  0.366500  1
  Fe  Fe2  1  0.767730  0.332052  0.366500  1
  Fe  Fe3  1  0.312157  0.698973  0.312839  1
  Fe  Fe4  1  0.812157  0.698973  0.312839  1
  Fe  Fe5  1  0.407446  0.919874  0.352624  1
  Fe  Fe6  1  0.907446  0.919874  0.352624  1
  Fe  Fe7  1  0.452124  0.287276  0.299026  1
  Fe  Fe8  1  0.952124  0.287276  0.299026  1
  Fe  Fe9  1  0.562157  0.698973  0.312839  1
  Fe  Fe10  1  0.062157  0.698973  0.312839  1
  Fe  Fe11  1  0.517730  0.332052  0.366500  1
  Fe  Fe12  1  0.017730  0.332052  0.366500  1
  Fe  Fe13  1  0.657446  0.919874  0.352624  1
  Fe  Fe14  1  0.157446  0.919874  0.352624  1
  Fe  Fe15  1  0.702124  0.287276  0.299026  1
  Fe  Fe16  1  0.202124  0.287276  0.299026  1
  Fe  Fe17  1  0.178936  0.600964  0.477961  1
  Fe  Fe18  1  0.678936  0.600964  0.477961  1
  Fe  Fe19  1  0.223288  0.966987  0.422418  1
  Fe  Fe20  1  0.723288  0.966987  0.422418  1
  Fe  Fe21  1  0.318143  0.189702  0.464294  1
  Fe  Fe22  1  0.818143  0.189702  0.464294  1
  Fe  Fe23  1  0.362529  0.555136  0.408780  1
  Fe  Fe24  1  0.862529  0.555136  0.408780  1
  Fe  Fe25  1  0.473288  0.966987  0.422418  1
  Fe  Fe26  1  0.973288  0.966987  0.422418  1
  Fe  Fe27  1  0.428936  0.600964  0.477961  1
  Fe  Fe28  1  0.928936  0.600964  0.477961  1
  Fe  Fe29  1  0.568143  0.189702  0.464294  1
  Fe  Fe30  1  0.068143  0.189702  0.464294  1
  Fe  Fe31  1  0.612529  0.555136  0.408780  1
  Fe  Fe32  1  0.112529  0.555136  0.408780  1
  Fe  Fe33  1  0.090006  0.870200  0.589149  1
  Fe  Fe34  1  0.590006  0.870200  0.589149  1
  Fe  Fe35  1  0.134392  0.235633  0.533635  1
  Fe  Fe36  1  0.634392  0.235633  0.533635  1
  Fe  Fe37  1  0.229247  0.458349  0.575512  1
  Fe  Fe38  1  0.729247  0.458349  0.575512  1
  Fe  Fe39  1  0.273599  0.824372  0.519968  1
  Fe  Fe40  1  0.773599  0.824372  0.519968  1
  Fe  Fe41  1  0.384392  0.235633  0.533635  1
  Fe  Fe42  1  0.884392  0.235633  0.533635  1
  Fe  Fe43  1  0.340006  0.870200  0.589149  1
  Fe  Fe44  1  0.840006  0.870200  0.589149  1
  Fe  Fe45  1  0.479247  0.458349  0.575512  1
  Fe  Fe46  1  0.979247  0.458349  0.575512  1
  Fe  Fe47  1  0.523599  0.824372  0.519968  1
  Fe  Fe48  1  0.023599  0.824372  0.519968  1
  Fe  Fe49  1  1.000411  0.138060  0.698903  1
  Fe  Fe50  1  0.500411  0.138060  0.698903  1
  Fe  Fe51  1  0.045090  0.505462  0.645306  1
  Fe  Fe52  1  0.545090  0.505462  0.645306  1
  Fe  Fe53  1  0.140378  0.726363  0.685090  1
  Fe  Fe54  1  0.640378  0.726363  0.685090  1
  Fe  Fe55  1  0.184805  0.093283  0.631429  1
  Fe  Fe56  1  0.684805  0.093283  0.631429  1
  Fe  Fe57  1  0.295090  0.505462  0.645306  1
  Fe  Fe58  1  0.795090  0.505462  0.645306  1
  Fe  Fe59  1  0.250411  0.138060  0.698903  1
  Fe  Fe60  1  0.750411  0.138060  0.698903  1
  Fe  Fe61  1  0.390378  0.726363  0.685090  1
  Fe  Fe62  1  0.890378  0.726363  0.685090  1
  Fe  Fe63  1  0.434805  0.093283  0.631429  1
  Fe  Fe64  1  0.934805  0.093283  0.631429  1
  P  P65  1  0.600021  0.720486  0.348512  1
  P  P66  1  0.100021  0.720486  0.348512  1
  P  P67  1  0.644203  0.085808  0.293082  1
  P  P68  1  0.144203  0.085808  0.293082  1
  P  P69  1  0.717843  0.475430  0.345040  1
  P  P70  1  0.217843  0.475430  0.345040  1
  P  P71  1  0.765795  0.839900  0.289817  1
  P  P72  1  0.265795  0.839900  0.289817  1
  P  P73  1  0.324791  0.038280  0.374838  1
  P  P74  1  0.824791  0.038280  0.374838  1
  P  P75  1  0.367255  0.406371  0.319441  1
  P  P76  1  0.867255  0.406371  0.319441  1
  P  P77  1  0.229471  0.966109  0.346321  1
  P  P78  1  0.729471  0.966109  0.346321  1
  P  P79  1  0.273874  0.333127  0.290785  1
  P  P80  1  0.773874  0.333127  0.290785  1
  P  P81  1  0.372794  0.896066  0.315812  1
  P  P82  1  0.872794  0.896066  0.315812  1
  P  P83  1  0.325849  0.532986  0.372356  1
  P  P84  1  0.825849  0.532986  0.372356  1
  P  P85  1  0.640350  0.579608  0.288713  1
  P  P86  1  0.140350  0.579608  0.288713  1
  P  P87  1  0.601129  0.213233  0.344732  1
  P  P88  1  0.101129  0.213233  0.344732  1
  P  P89  1  0.251781  0.142275  0.319391  1
  P  P90  1  0.751781  0.142275  0.319391  1
  P  P91  1  0.206745  0.778661  0.374960  1
  P  P92  1  0.706745  0.778661  0.374960  1
  P  P93  1  0.739208  0.652969  0.317109  1
  P  P94  1  0.239208  0.652969  0.317109  1
  P  P95  1  0.695569  0.286944  0.373566  1
  P  P96  1  0.195569  0.286944  0.373566  1
  P  P97  1  0.394203  0.085808  0.293082  1
  P  P98  1  0.894203  0.085808  0.293082  1
  P  P99  1  0.350021  0.720486  0.348512  1
  P  P100  1  0.850021  0.720486  0.348512  1
  P  P101  1  0.515795  0.839900  0.289817  1
  P  P102  1  0.015795  0.839900  0.289817  1
  P  P103  1  0.467843  0.475430  0.345040  1
  P  P104  1  0.967843  0.475430  0.345040  1
  P  P105  1  0.574791  0.038280  0.374838  1
  P  P106  1  0.074791  0.038280  0.374838  1
  P  P107  1  0.617255  0.406371  0.319441  1
  P  P108  1  0.117255  0.406371  0.319441  1
  P  P109  1  0.479471  0.966109  0.346321  1
  P  P110  1  0.979471  0.966109  0.346321  1
  P  P111  1  0.523874  0.333127  0.290785  1
  P  P112  1  0.023874  0.333127  0.290785  1
  P  P113  1  0.622794  0.896066  0.315812  1
  P  P114  1  0.122794  0.896066  0.315812  1
  P  P115  1  0.575849  0.532986  0.372356  1
  P  P116  1  0.075849  0.532986  0.372356  1
  P  P117  1  0.351129  0.213233  0.344732  1
  P  P118  1  0.851129  0.213233  0.344732  1
  P  P119  1  0.390350  0.579608  0.288713  1
  P  P120  1  0.890350  0.579608  0.288713  1
  P  P121  1  0.456745  0.778661  0.374960  1
  P  P122  1  0.956745  0.778661  0.374960  1
  P  P123  1  0.501781  0.142275  0.319391  1
  P  P124  1  0.001781  0.142275  0.319391  1
  P  P125  1  0.489208  0.652969  0.317109  1
  P  P126  1  0.989208  0.652969  0.317109  1
  P  P127  1  0.445569  0.286944  0.373566  1
  P  P128  1  0.945569  0.286944  0.373566  1
  P  P129  1  0.509824  0.989115  0.458834  1
  P  P130  1  0.009824  0.989115  0.458834  1
  P  P131  1  0.554121  0.354308  0.403014  1
  P  P132  1  0.054121  0.354308  0.403014  1
  P  P133  1  0.629422  0.743742  0.456316  1
  P  P134  1  0.129422  0.743742  0.456316  1
  P  P135  1  0.673996  0.109042  0.400509  1
  P  P136  1  0.173996  0.109042  0.400509  1
  P  P137  1  0.235167  0.308074  0.486263  1
  P  P138  1  0.735167  0.308074  0.486263  1
  P  P139  1  0.279637  0.673873  0.430709  1
  P  P140  1  0.779637  0.673873  0.430709  1
  P  P141  1  0.140413  0.234839  0.457563  1
  P  P142  1  0.640413  0.234839  0.457563  1
  P  P143  1  0.185005  0.600097  0.402257  1
  P  P144  1  0.685005  0.600097  0.402257  1
  P  P145  1  0.281823  0.167147  0.427846  1
  P  P146  1  0.781823  0.167147  0.427846  1
  P  P147  1  0.237194  0.801918  0.483556  1
  P  P148  1  0.737194  0.801918  0.483556  1
  P  P149  1  0.556363  0.848555  0.400596  1
  P  P150  1  0.056363  0.848555  0.400596  1
  P  P151  1  0.511976  0.482332  0.456053  1
  P  P152  1  0.011976  0.482332  0.456053  1
  P  P153  1  0.162079  0.412484  0.430455  1
  P  P154  1  0.662079  0.412484  0.430455  1
  P  P155  1  0.117582  0.047326  0.486098  1
  P  P156  1  0.617582  0.047326  0.486098  1
  P  P157  1  0.651137  0.921574  0.429089  1
  P  P158  1  0.151137  0.921574  0.429089  1
  P  P159  1  0.606632  0.555878  0.484674  1
  P  P160  1  0.106632  0.555878  0.484674  1
  P  P161  1  0.304121  0.354308  0.403014  1
  P  P162  1  0.804121  0.354308  0.403014  1
  P  P163  1  0.259824  0.989115  0.458834  1
  P  P164  1  0.759824  0.989115  0.458834  1
  P  P165  1  0.423996  0.109042  0.400509  1
  P  P166  1  0.923996  0.109042  0.400509  1
  P  P167  1  0.379422  0.743742  0.456316  1
  P  P168  1  0.879422  0.743742  0.456316  1
  P  P169  1  0.485167  0.308074  0.486263  1
  P  P170  1  0.985167  0.308074  0.486263  1
  P  P171  1  0.529637  0.673873  0.430709  1
  P  P172  1  0.029637  0.673873  0.430709  1
  P  P173  1  0.390413  0.234839  0.457563  1
  P  P174  1  0.890413  0.234839  0.457563  1
  P  P175  1  0.435005  0.600097  0.402257  1
  P  P176  1  0.935005  0.600097  0.402257  1
  P  P177  1  0.531823  0.167147  0.427846  1
  P  P178  1  0.031823  0.167147  0.427846  1
  P  P179  1  0.487194  0.801918  0.483556  1
  P  P180  1  0.987194  0.801918  0.483556  1
  P  P181  1  0.261976  0.482332  0.456053  1
  P  P182  1  0.761976  0.482332  0.456053  1
  P  P183  1  0.306363  0.848555  0.400596  1
  P  P184  1  0.806363  0.848555  0.400596  1
  P  P185  1  0.367582  0.047326  0.486098  1
  P  P186  1  0.867582  0.047326  0.486098  1
  P  P187  1  0.412079  0.412484  0.430455  1
  P  P188  1  0.912079  0.412484  0.430455  1
  P  P189  1  0.401137  0.921574  0.429089  1
  P  P190  1  0.901137  0.921574  0.429089  1
  P  P191  1  0.356632  0.555878  0.484674  1
  P  P192  1  0.856632  0.555878  0.484674  1
  P  P193  1  0.420712  0.258189  0.570084  1
  P  P194  1  0.920712  0.258189  0.570084  1
  P  P195  1  0.465342  0.623418  0.514374  1
  P  P196  1  0.965342  0.623418  0.514374  1
  P  P197  1  0.540456  0.012852  0.567474  1
  P  P198  1  0.040456  0.012852  0.567474  1
  P  P199  1  0.584953  0.378010  0.511832  1
  P  P200  1  0.084953  0.378010  0.511832  1
  P  P201  1  0.146172  0.576781  0.597334  1
  P  P202  1  0.646172  0.576781  0.597334  1
  P  P203  1  0.190560  0.943004  0.541876  1
  P  P204  1  0.690560  0.943004  0.541876  1
  P  P205  1  0.051398  0.503761  0.568840  1
  P  P206  1  0.551398  0.503761  0.568840  1
  P  P207  1  0.095903  0.869457  0.513255  1
  P  P208  1  0.595903  0.869457  0.513255  1
  P  P209  1  0.192711  0.436221  0.539095  1
  P  P210  1  0.692711  0.436221  0.539095  1
  P  P211  1  0.148414  0.071028  0.594915  1
  P  P212  1  0.648414  0.071028  0.594915  1
  P  P213  1  0.467369  0.117261  0.511667  1
  P  P214  1  0.967369  0.117261  0.511667  1
  P  P215  1  0.422898  0.751463  0.567220  1
  P  P216  1  0.922898  0.751463  0.567220  1
  P  P217  1  0.073113  0.681594  0.541613  1
  P  P218  1  0.573113  0.681594  0.541613  1
  P  P219  1  0.028539  0.316294  0.597421  1
  P  P220  1  0.528539  0.316294  0.597421  1
  P  P221  1  0.562122  0.190497  0.540366  1
  P  P222  1  0.062122  0.190497  0.540366  1
  P  P223  1  0.517531  0.825239  0.595672  1
  P  P224  1  0.017531  0.825239  0.595672  1
  P  P225  1  0.215342  0.623418  0.514374  1
  P  P226  1  0.715342  0.623418  0.514374  1
  P  P227  1  0.170712  0.258189  0.570084  1
  P  P228  1  0.670712  0.258189  0.570084  1
  P  P229  1  0.334953  0.378010  0.511832  1
  P  P230  1  0.834953  0.378010  0.511832  1
  P  P231  1  0.290456  0.012852  0.567474  1
  P  P232  1  0.790456  0.012852  0.567474  1
  P  P233  1  0.396172  0.576781  0.597334  1
  P  P234  1  0.896172  0.576781  0.597334  1
  P  P235  1  0.440560  0.943004  0.541876  1
  P  P236  1  0.940560  0.943004  0.541876  1
  P  P237  1  0.301398  0.503761  0.568840  1
  P  P238  1  0.801398  0.503761  0.568840  1
  P  P239  1  0.345903  0.869457  0.513255  1
  P  P240  1  0.845903  0.869457  0.513255  1
  P  P241  1  0.442711  0.436221  0.539095  1
  P  P242  1  0.942711  0.436221  0.539095  1
  P  P243  1  0.398414  0.071028  0.594915  1
  P  P244  1  0.898414  0.071028  0.594915  1
  P  P245  1  0.172898  0.751463  0.567220  1
  P  P246  1  0.672898  0.751463  0.567220  1
  P  P247  1  0.217369  0.117261  0.511667  1
  P  P248  1  0.717369  0.117261  0.511667  1
  P  P249  1  0.278539  0.316294  0.597421  1
  P  P250  1  0.778539  0.316294  0.597421  1
  P  P251  1  0.323113  0.681594  0.541613  1
  P  P252  1  0.823113  0.681594  0.541613  1
  P  P253  1  0.312122  0.190497  0.540366  1
  P  P254  1  0.812122  0.190497  0.540366  1
  P  P255  1  0.267531  0.825239  0.595672  1
  P  P256  1  0.767531  0.825239  0.595672  1
  P  P257  1  0.329741  0.529270  0.682117  1
  P  P258  1  0.829741  0.529270  0.682117  1
  P  P259  1  0.376686  0.892350  0.625573  1
  P  P260  1  0.876686  0.892350  0.625573  1
  P  P261  1  0.450754  0.283061  0.678538  1
  P  P262  1  0.950754  0.283061  0.678538  1
  P  P263  1  0.495790  0.646674  0.622969  1
  P  P264  1  0.995790  0.646674  0.622969  1
  P  P265  1  0.062186  0.845728  0.709216  1
  P  P266  1  0.562186  0.845728  0.709216  1
  P  P267  1  0.101406  0.212102  0.653197  1
  P  P268  1  0.601406  0.212102  0.653197  1
  P  P269  1  0.963327  0.772367  0.680821  1
  P  P270  1  0.463327  0.772367  0.680821  1
  P  P271  1  0.006966  0.138391  0.624364  1
  P  P272  1  0.506966  0.138391  0.624364  1
  P  P273  1  0.102515  0.704849  0.649417  1
  P  P274  1  0.602515  0.704849  0.649417  1
  P  P275  1  0.058332  0.339528  0.704847  1
  P  P276  1  0.558332  0.339528  0.704847  1
  P  P277  1  0.377744  0.387056  0.623092  1
  P  P278  1  0.877744  0.387056  0.623092  1
  P  P279  1  0.335280  0.018965  0.678489  1
  P  P280  1  0.835280  0.018965  0.678489  1
  P  P281  1  0.984692  0.949906  0.652889  1
  P  P282  1  0.484692  0.949906  0.652889  1
  P  P283  1  0.936740  0.585435  0.708112  1
  P  P284  1  0.436740  0.585435  0.708112  1
  P  P285  1  0.473064  0.459226  0.651609  1
  P  P286  1  0.973064  0.459226  0.651609  1
  P  P287  1  0.428661  0.092208  0.707144  1
  P  P288  1  0.928661  0.092208  0.707144  1
  P  P289  1  0.126686  0.892350  0.625573  1
  P  P290  1  0.626686  0.892350  0.625573  1
  P  P291  1  0.079741  0.529270  0.682117  1
  P  P292  1  0.579741  0.529270  0.682117  1
  P  P293  1  0.245790  0.646674  0.622969  1
  P  P294  1  0.745790  0.646674  0.622969  1
  P  P295  1  0.200754  0.283061  0.678538  1
  P  P296  1  0.700754  0.283061  0.678538  1
  P  P297  1  0.312186  0.845728  0.709216  1
  P  P298  1  0.812186  0.845728  0.709216  1
  P  P299  1  0.351406  0.212102  0.653197  1
  P  P300  1  0.851406  0.212102  0.653197  1
  P  P301  1  0.213327  0.772367  0.680821  1
  P  P302  1  0.713327  0.772367  0.680821  1
  P  P303  1  0.256966  0.138391  0.624364  1
  P  P304  1  0.756966  0.138391  0.624364  1
  P  P305  1  0.352515  0.704849  0.649417  1
  P  P306  1  0.852515  0.704849  0.649417  1
  P  P307  1  0.308332  0.339528  0.704847  1
  P  P308  1  0.808332  0.339528  0.704847  1
  P  P309  1  0.085280  0.018965  0.678489  1
  P  P310  1  0.585280  0.018965  0.678489  1
  P  P311  1  0.127744  0.387056  0.623092  1
  P  P312  1  0.627744  0.387056  0.623092  1
  P  P313  1  0.186740  0.585435  0.708112  1
  P  P314  1  0.686740  0.585435  0.708112  1
  P  P315  1  0.234692  0.949906  0.652889  1
  P  P316  1  0.734692  0.949906  0.652889  1
  P  P317  1  0.223064  0.459226  0.651609  1
  P  P318  1  0.723064  0.459226  0.651609  1
  P  P319  1  0.178661  0.092208  0.707144  1
  P  P320  1  0.678661  0.092208  0.707144  1
