# generated using pymatgen
data_FeP4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.29319430
_cell_length_b   28.03300935
_cell_length_c   52.79019344
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   89.76594756
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeP4
_chemical_formula_sum   'Fe64 P256'
_cell_volume   13752.5859845
_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  0.647833  0.143885  0.353215  1
  Fe  Fe2  1  0.640416  0.677269  0.290720  1
  Fe  Fe3  1  0.137431  0.284865  0.305052  1
  Fe  Fe4  1  0.148733  0.759460  0.368202  1
  Fe  Fe5  1  0.900247  0.244511  0.273428  1
  Fe  Fe6  1  0.872458  0.714987  0.325199  1
  Fe  Fe7  1  0.370403  0.220424  0.325954  1
  Fe  Fe8  1  0.399449  0.739628  0.272762  1
  Fe  Fe9  1  0.644099  0.940565  0.265838  1
  Fe  Fe10  1  0.647119  0.408764  0.320598  1
  Fe  Fe11  1  0.147348  0.022905  0.336211  1
  Fe  Fe12  1  0.145704  0.554325  0.277031  1
  Fe  Fe13  1  0.880091  0.977382  0.296745  1
  Fe  Fe14  1  0.867225  0.449746  0.357174  1
  Fe  Fe15  1  0.368637  0.955536  0.358212  1
  Fe  Fe16  1  0.369419  0.486208  0.297265  1
  Fe  Fe17  1  0.641846  0.085170  0.478094  1
  Fe  Fe18  1  0.645130  0.614397  0.415311  1
  Fe  Fe19  1  0.144001  0.230070  0.430947  1
  Fe  Fe20  1  0.141006  0.700631  0.493356  1
  Fe  Fe21  1  0.867238  0.185144  0.389043  1
  Fe  Fe22  1  0.865143  0.655590  0.451386  1
  Fe  Fe23  1  0.364927  0.161761  0.452365  1
  Fe  Fe24  1  0.369004  0.691271  0.389735  1
  Fe  Fe25  1  0.647814  0.878935  0.384110  1
  Fe  Fe26  1  0.642787  0.349864  0.446632  1
  Fe  Fe27  1  0.142855  0.965264  0.462066  1
  Fe  Fe28  1  0.145612  0.494669  0.399423  1
  Fe  Fe29  1  0.866924  0.920336  0.420234  1
  Fe  Fe30  1  0.862819  0.391037  0.482643  1
  Fe  Fe31  1  0.363460  0.897028  0.483533  1
  Fe  Fe32  1  0.366331  0.426537  0.420875  1
  Fe  Fe33  1  0.635605  0.026283  0.603241  1
  Fe  Fe34  1  0.638282  0.555676  0.540600  1
  Fe  Fe35  1  0.138197  0.171271  0.556188  1
  Fe  Fe36  1  0.134870  0.642081  0.618463  1
  Fe  Fe37  1  0.861373  0.126460  0.514206  1
  Fe  Fe38  1  0.858245  0.596803  0.576520  1
  Fe  Fe39  1  0.358802  0.102789  0.577518  1
  Fe  Fe40  1  0.361543  0.632425  0.514852  1
  Fe  Fe41  1  0.639941  0.820524  0.509286  1
  Fe  Fe42  1  0.637514  0.291084  0.572031  1
  Fe  Fe43  1  0.135752  0.906722  0.587201  1
  Fe  Fe44  1  0.139525  0.435858  0.524753  1
  Fe  Fe45  1  0.859597  0.861638  0.545412  1
  Fe  Fe46  1  0.857363  0.332271  0.608198  1
  Fe  Fe47  1  0.357101  0.838602  0.608628  1
  Fe  Fe48  1  0.360257  0.367692  0.546307  1
  Fe  Fe49  1  0.602262  0.974413  0.719550  1
  Fe  Fe50  1  0.634321  0.497560  0.667010  1
  Fe  Fe51  1  0.134202  0.110823  0.682715  1
  Fe  Fe52  1  0.104051  0.581989  0.733546  1
  Fe  Fe53  1  0.856276  0.067441  0.639042  1
  Fe  Fe54  1  0.863308  0.541763  0.702157  1
  Fe  Fe55  1  0.363782  0.040642  0.702274  1
  Fe  Fe56  1  0.355937  0.573382  0.639425  1
  Fe  Fe57  1  0.634895  0.761989  0.634949  1
  Fe  Fe58  1  0.627089  0.234058  0.695888  1
  Fe  Fe59  1  0.112428  0.839000  0.705819  1
  Fe  Fe60  1  0.135611  0.377192  0.650242  1
  Fe  Fe61  1  0.864591  0.804937  0.673014  1
  Fe  Fe62  1  0.859994  0.271913  0.727051  1
  Fe  Fe63  1  0.344310  0.777229  0.725826  1
  Fe  Fe64  1  0.355648  0.308166  0.672063  1
  P  P65  1  0.891283  0.171498  0.290243  1
  P  P66  1  0.881673  0.644689  0.350452  1
  P  P67  1  0.381777  0.260623  0.365882  1
  P  P68  1  0.389222  0.790817  0.305106  1
  P  P69  1  0.878459  0.292796  0.306487  1
  P  P70  1  0.882126  0.761544  0.366212  1
  P  P71  1  0.395124  0.292041  0.302354  1
  P  P72  1  0.394375  0.764080  0.367332  1
  P  P73  1  0.882404  0.259157  0.367486  1
  P  P74  1  0.889951  0.788624  0.303899  1
  P  P75  1  0.132153  0.359593  0.279739  1
  P  P76  1  0.136876  0.832527  0.342876  1
  P  P77  1  0.640081  0.837361  0.343311  1
  P  P78  1  0.642356  0.366612  0.280162  1
  P  P79  1  0.381182  0.143610  0.350913  1
  P  P80  1  0.380887  0.667729  0.290052  1
  P  P81  1  0.636981  0.216645  0.328220  1
  P  P82  1  0.640103  0.748188  0.264586  1
  P  P83  1  0.637737  0.864537  0.280647  1
  P  P84  1  0.628290  0.335891  0.343661  1
  P  P85  1  0.384385  0.174019  0.288870  1
  P  P86  1  0.386498  0.644785  0.352340  1
  P  P87  1  0.137975  0.332939  0.342949  1
  P  P88  1  0.142539  0.864277  0.280885  1
  P  P89  1  0.138686  0.245137  0.264058  1
  P  P90  1  0.139434  0.716693  0.328280  1
  P  P91  1  0.893777  0.140430  0.351330  1
  P  P92  1  0.899563  0.672609  0.286569  1
  P  P93  1  0.652911  0.246119  0.264747  1
  P  P94  1  0.628010  0.717581  0.329057  1
  P  P95  1  0.126852  0.215222  0.329144  1
  P  P96  1  0.155022  0.746773  0.264493  1
  P  P97  1  0.891112  0.908199  0.319509  1
  P  P98  1  0.892337  0.439821  0.259065  1
  P  P99  1  0.391740  0.056538  0.272933  1
  P  P100  1  0.385659  0.526646  0.334823  1
  P  P101  1  0.884102  0.026411  0.335484  1
  P  P102  1  0.887692  0.556088  0.271313  1
  P  P103  1  0.391787  0.028895  0.336323  1
  P  P104  1  0.399815  0.554800  0.271139  1
  P  P105  1  0.884754  0.051685  0.273624  1
  P  P106  1  0.882904  0.523968  0.335708  1
  P  P107  1  0.140401  0.096449  0.311699  1
  P  P108  1  0.149449  0.624064  0.249137  1
  P  P109  1  0.635448  0.102029  0.312664  1
  P  P110  1  0.636219  0.634888  0.250076  1
  P  P111  1  0.404464  0.939728  0.256023  1
  P  P112  1  0.380232  0.407547  0.318972  1
  P  P113  1  0.639226  0.951856  0.359682  1
  P  P114  1  0.639459  0.481588  0.296548  1
  P  P115  1  0.646384  0.131206  0.252413  1
  P  P116  1  0.640991  0.600651  0.311447  1
  P  P117  1  0.384311  0.909146  0.320707  1
  P  P118  1  0.377296  0.439861  0.259057  1
  P  P119  1  0.130166  0.128649  0.252036  1
  P  P120  1  0.131432  0.598277  0.312735  1
  P  P121  1  0.145549  0.980880  0.295725  1
  P  P122  1  0.138321  0.452127  0.359423  1
  P  P123  1  0.887040  0.936739  0.255987  1
  P  P124  1  0.894713  0.405842  0.319534  1
  P  P125  1  0.625530  0.984854  0.299753  1
  P  P126  1  0.619227  0.452755  0.359026  1
  P  P127  1  0.121910  0.951297  0.359212  1
  P  P128  1  0.123927  0.480925  0.297263  1
  P  P129  1  0.878849  0.114789  0.413689  1
  P  P130  1  0.875898  0.585496  0.476035  1
  P  P131  1  0.375185  0.201940  0.491672  1
  P  P132  1  0.378579  0.731257  0.428962  1
  P  P133  1  0.876907  0.231948  0.429221  1
  P  P134  1  0.874259  0.702519  0.491658  1
  P  P135  1  0.389715  0.234663  0.429962  1
  P  P136  1  0.386734  0.705196  0.492546  1
  P  P137  1  0.877758  0.200658  0.492823  1
  P  P138  1  0.881944  0.729962  0.430050  1
  P  P139  1  0.132889  0.303066  0.405633  1
  P  P140  1  0.130445  0.773983  0.468543  1
  P  P141  1  0.630415  0.777653  0.468970  1
  P  P142  1  0.632487  0.307111  0.406302  1
  P  P143  1  0.374929  0.084861  0.476235  1
  P  P144  1  0.378156  0.614113  0.413392  1
  P  P145  1  0.633645  0.158184  0.453575  1
  P  P146  1  0.637962  0.687634  0.391086  1
  P  P147  1  0.633127  0.805974  0.406447  1
  P  P148  1  0.628475  0.276718  0.469244  1
  P  P149  1  0.382009  0.114936  0.414933  1
  P  P150  1  0.378645  0.585643  0.477350  1
  P  P151  1  0.128622  0.274754  0.468995  1
  P  P152  1  0.132573  0.804026  0.406280  1
  P  P153  1  0.136677  0.187016  0.391204  1
  P  P154  1  0.133970  0.657827  0.453356  1
  P  P155  1  0.887642  0.081765  0.476307  1
  P  P156  1  0.891089  0.611059  0.413413  1
  P  P157  1  0.619288  0.188211  0.390940  1
  P  P158  1  0.616940  0.658835  0.453318  1
  P  P159  1  0.116743  0.157237  0.453318  1
  P  P160  1  0.120289  0.686465  0.390414  1
  P  P161  1  0.877912  0.850208  0.444824  1
  P  P162  1  0.879967  0.379148  0.381498  1
  P  P163  1  0.379789  0.995752  0.397644  1
  P  P164  1  0.376713  0.466512  0.460139  1
  P  P165  1  0.875925  0.967229  0.460480  1
  P  P166  1  0.878236  0.496358  0.397492  1
  P  P167  1  0.388687  0.969917  0.461315  1
  P  P168  1  0.391781  0.499395  0.398493  1
  P  P169  1  0.883070  0.994599  0.398909  1
  P  P170  1  0.879086  0.465237  0.461308  1
  P  P171  1  0.132074  0.038661  0.437302  1
  P  P172  1  0.134327  0.567798  0.374326  1
  P  P173  1  0.631737  0.042292  0.437831  1
  P  P174  1  0.635894  0.572029  0.374847  1
  P  P175  1  0.380428  0.878683  0.381964  1
  P  P176  1  0.375858  0.349578  0.444746  1
  P  P177  1  0.632290  0.893497  0.484742  1
  P  P178  1  0.635363  0.422708  0.421890  1
  P  P179  1  0.633526  0.070398  0.375319  1
  P  P180  1  0.630653  0.541256  0.437793  1
  P  P181  1  0.380784  0.850376  0.446066  1
  P  P182  1  0.381491  0.379806  0.383543  1
  P  P183  1  0.133729  0.068642  0.375039  1
  P  P184  1  0.129960  0.539250  0.437520  1
  P  P185  1  0.135987  0.922508  0.422131  1
  P  P186  1  0.131953  0.393194  0.484736  1
  P  P187  1  0.893852  0.875849  0.382314  1
  P  P188  1  0.888866  0.346455  0.444694  1
  P  P189  1  0.618631  0.923513  0.422043  1
  P  P190  1  0.614939  0.394239  0.484596  1
  P  P191  1  0.115334  0.892554  0.484417  1
  P  P192  1  0.117331  0.421815  0.421664  1
  P  P193  1  0.872986  0.056199  0.538839  1
  P  P194  1  0.869102  0.526629  0.601191  1
  P  P195  1  0.369854  0.142794  0.616800  1
  P  P196  1  0.371469  0.672678  0.554248  1
  P  P197  1  0.871263  0.173234  0.554536  1
  P  P198  1  0.866652  0.643906  0.616600  1
  P  P199  1  0.383920  0.175857  0.555308  1
  P  P200  1  0.380809  0.646692  0.618034  1
  P  P201  1  0.871460  0.142125  0.618240  1
  P  P202  1  0.874612  0.671212  0.555128  1
  P  P203  1  0.127111  0.244584  0.531294  1
  P  P204  1  0.122414  0.715486  0.594021  1
  P  P205  1  0.624175  0.719093  0.594203  1
  P  P206  1  0.627291  0.248334  0.531791  1
  P  P207  1  0.367479  0.025905  0.601366  1
  P  P208  1  0.371595  0.555454  0.538611  1
  P  P209  1  0.627866  0.099391  0.578719  1
  P  P210  1  0.630291  0.628738  0.515988  1
  P  P211  1  0.625458  0.747186  0.531721  1
  P  P212  1  0.622615  0.217956  0.594672  1
  P  P213  1  0.375354  0.056343  0.540147  1
  P  P214  1  0.372729  0.526974  0.602326  1
  P  P215  1  0.123266  0.215865  0.594506  1
  P  P216  1  0.125312  0.745321  0.531629  1
  P  P217  1  0.130477  0.128534  0.516198  1
  P  P218  1  0.127298  0.599408  0.578426  1
  P  P219  1  0.881904  0.022994  0.601580  1
  P  P220  1  0.884333  0.552352  0.538680  1
  P  P221  1  0.613657  0.129576  0.516071  1
  P  P222  1  0.609937  0.600312  0.578461  1
  P  P223  1  0.110293  0.098577  0.578574  1
  P  P224  1  0.113671  0.627820  0.515608  1
  P  P225  1  0.869447  0.791428  0.569997  1
  P  P226  1  0.874221  0.320929  0.507416  1
  P  P227  1  0.373684  0.937182  0.522929  1
  P  P228  1  0.370296  0.407908  0.585701  1
  P  P229  1  0.868285  0.908597  0.585663  1
  P  P230  1  0.872620  0.437768  0.523037  1
  P  P231  1  0.382038  0.911258  0.586735  1
  P  P232  1  0.385235  0.440474  0.523937  1
  P  P233  1  0.876006  0.935936  0.524042  1
  P  P234  1  0.873893  0.406455  0.586819  1
  P  P235  1  0.125204  0.979860  0.562526  1
  P  P236  1  0.128621  0.509145  0.499796  1
  P  P237  1  0.625221  0.983693  0.563109  1
  P  P238  1  0.628514  0.512905  0.500316  1
  P  P239  1  0.373342  0.820155  0.507343  1
  P  P240  1  0.370328  0.290785  0.570181  1
  P  P241  1  0.625930  0.835123  0.610381  1
  P  P242  1  0.629248  0.364102  0.547457  1
  P  P243  1  0.627319  0.011988  0.500654  1
  P  P244  1  0.624249  0.482418  0.563180  1
  P  P245  1  0.374542  0.791893  0.571131  1
  P  P246  1  0.377121  0.321054  0.508836  1
  P  P247  1  0.127289  0.009913  0.500326  1
  P  P248  1  0.123819  0.480570  0.562958  1
  P  P249  1  0.128664  0.863947  0.547196  1
  P  P250  1  0.126992  0.334502  0.610240  1
  P  P251  1  0.885826  0.817092  0.507468  1
  P  P252  1  0.883472  0.287727  0.570292  1
  P  P253  1  0.611707  0.864968  0.547288  1
  P  P254  1  0.608991  0.335607  0.609874  1
  P  P255  1  0.107615  0.833768  0.608822  1
  P  P256  1  0.112192  0.363134  0.547145  1
  P  P257  1  0.870687  0.997348  0.664362  1
  P  P258  1  0.870942  0.470203  0.726916  1
  P  P259  1  0.374445  0.082781  0.741811  1
  P  P260  1  0.368098  0.612447  0.679252  1
  P  P261  1  0.869392  0.114030  0.679500  1
  P  P262  1  0.866173  0.584775  0.743538  1
  P  P263  1  0.376979  0.116897  0.681194  1
  P  P264  1  0.343284  0.582902  0.744034  1
  P  P265  1  0.859731  0.082884  0.740932  1
  P  P266  1  0.861711  0.613393  0.680181  1
  P  P267  1  0.126662  0.185194  0.656879  1
  P  P268  1  0.112763  0.658493  0.719397  1
  P  P269  1  0.609920  0.657134  0.719238  1
  P  P270  1  0.617715  0.188711  0.657272  1
  P  P271  1  0.367092  0.968224  0.729380  1
  P  P272  1  0.370426  0.496233  0.663474  1
  P  P273  1  0.623329  0.044951  0.701482  1
  P  P274  1  0.624866  0.569590  0.641273  1
  P  P275  1  0.621844  0.688617  0.657202  1
  P  P276  1  0.622116  0.161299  0.720618  1
  P  P277  1  0.360115  0.996342  0.665009  1
  P  P278  1  0.362402  0.468225  0.725498  1
  P  P279  1  0.116795  0.155236  0.720835  1
  P  P280  1  0.114314  0.684958  0.657042  1
  P  P281  1  0.125139  0.069971  0.641711  1
  P  P282  1  0.123415  0.537810  0.699727  1
  P  P283  1  0.842395  0.966444  0.729494  1
  P  P284  1  0.876244  0.493393  0.664217  1
  P  P285  1  0.606387  0.070162  0.640991  1
  P  P286  1  0.607034  0.541879  0.705200  1
  P  P287  1  0.107705  0.037745  0.705094  1
  P  P288  1  0.106175  0.569222  0.640200  1
  P  P289  1  0.860822  0.732915  0.696125  1
  P  P290  1  0.868207  0.261969  0.632832  1
  P  P291  1  0.362590  0.877733  0.648543  1
  P  P292  1  0.367083  0.348288  0.711245  1
  P  P293  1  0.855291  0.849528  0.713034  1
  P  P294  1  0.867295  0.378892  0.648577  1
  P  P295  1  0.367585  0.853699  0.713212  1
  P  P296  1  0.380847  0.381742  0.649651  1
  P  P297  1  0.870226  0.877174  0.649493  1
  P  P298  1  0.866257  0.348837  0.711854  1
  P  P299  1  0.110912  0.919688  0.690188  1
  P  P300  1  0.122778  0.450679  0.625539  1
  P  P301  1  0.614783  0.924042  0.686966  1
  P  P302  1  0.623511  0.453931  0.625884  1
  P  P303  1  0.368872  0.761182  0.631945  1
  P  P304  1  0.362709  0.232410  0.697017  1
  P  P305  1  0.594369  0.772420  0.734850  1
  P  P306  1  0.622185  0.305869  0.672226  1
  P  P307  1  0.620480  0.953466  0.626172  1
  P  P308  1  0.619836  0.424595  0.689564  1
  P  P309  1  0.364643  0.729179  0.693319  1
  P  P310  1  0.372018  0.262021  0.634432  1
  P  P311  1  0.118666  0.950471  0.625753  1
  P  P312  1  0.119288  0.420603  0.688522  1
  P  P313  1  0.122183  0.802410  0.669304  1
  P  P314  1  0.104136  0.274790  0.735528  1
  P  P315  1  0.877002  0.758731  0.633215  1
  P  P316  1  0.879678  0.226345  0.693458  1
  P  P317  1  0.607321  0.806538  0.672646  1
  P  P318  1  0.617898  0.276451  0.736042  1
  P  P319  1  0.107836  0.776041  0.735529  1
  P  P320  1  0.108891  0.304202  0.672131  1
