# generated using pymatgen
data_FeP4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   17.02319135
_cell_length_b   19.57781809
_cell_length_c   52.50677294
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   87.48809485
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeP4
_chemical_formula_sum   'Fe72 P288'
_cell_volume   17482.4823731
_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  0.042710  0.503656  0.374482  1
  Fe  Fe2  1  0.945579  0.152752  0.306492  1
  Fe  Fe3  1  1.002863  0.838668  0.338827  1
  Fe  Fe4  1  0.537288  0.540414  0.363940  1
  Fe  Fe5  1  0.429364  0.210501  0.299197  1
  Fe  Fe6  1  0.491681  0.869265  0.328245  1
  Fe  Fe7  1  0.347635  0.707555  0.368657  1
  Fe  Fe8  1  0.257023  0.357537  0.303967  1
  Fe  Fe9  1  0.310144  0.039196  0.330551  1
  Fe  Fe10  1  0.863164  0.673243  0.378177  1
  Fe  Fe11  1  0.760319  0.337257  0.309954  1
  Fe  Fe12  1  0.811191  0.999129  0.341298  1
  Fe  Fe13  1  0.204450  0.615535  0.372377  1
  Fe  Fe14  1  0.118488  0.269538  0.308647  1
  Fe  Fe15  1  0.142466  0.927821  0.334712  1
  Fe  Fe16  1  0.606822  0.771844  0.304332  1
  Fe  Fe17  1  0.649551  0.435917  0.335316  1
  Fe  Fe18  1  0.692232  0.118742  0.374114  1
  Fe  Fe19  1  0.180063  0.532659  0.487303  1
  Fe  Fe20  1  0.086552  0.181903  0.414161  1
  Fe  Fe21  1  0.134439  0.857746  0.449533  1
  Fe  Fe22  1  0.675144  0.566054  0.478729  1
  Fe  Fe23  1  0.582611  0.216156  0.403270  1
  Fe  Fe24  1  0.628525  0.890899  0.441382  1
  Fe  Fe25  1  0.484867  0.733084  0.481172  1
  Fe  Fe26  1  0.394629  0.386082  0.408725  1
  Fe  Fe27  1  0.436916  0.058820  0.442772  1
  Fe  Fe28  1  1.001321  0.700435  0.489514  1
  Fe  Fe29  1  0.909226  0.347812  0.415025  1
  Fe  Fe30  1  0.954816  0.024601  0.452886  1
  Fe  Fe31  1  0.341078  0.643701  0.483691  1
  Fe  Fe32  1  0.247762  0.295122  0.410624  1
  Fe  Fe33  1  0.295564  0.969538  0.446063  1
  Fe  Fe34  1  0.738729  0.790982  0.410039  1
  Fe  Fe35  1  0.785359  0.468163  0.449560  1
  Fe  Fe36  1  0.830445  0.143024  0.486699  1
  Fe  Fe37  1  0.319095  0.553954  0.599480  1
  Fe  Fe38  1  0.226494  0.209344  0.526101  1
  Fe  Fe39  1  0.273930  0.881854  0.562020  1
  Fe  Fe40  1  0.813406  0.594856  0.591575  1
  Fe  Fe41  1  0.719914  0.240883  0.516711  1
  Fe  Fe42  1  0.767198  0.916838  0.552385  1
  Fe  Fe43  1  0.624647  0.757318  0.593916  1
  Fe  Fe44  1  0.530700  0.407460  0.520170  1
  Fe  Fe45  1  0.576470  0.082347  0.556846  1
  Fe  Fe46  1  0.139413  0.724935  0.601205  1
  Fe  Fe47  1  0.047958  0.375408  0.527648  1
  Fe  Fe48  1  0.093458  0.049896  0.563328  1
  Fe  Fe49  1  0.481106  0.667634  0.595266  1
  Fe  Fe50  1  0.387247  0.319273  0.522260  1
  Fe  Fe51  1  0.434185  0.993377  0.558851  1
  Fe  Fe52  1  0.877600  0.818856  0.522251  1
  Fe  Fe53  1  0.921653  0.496099  0.560489  1
  Fe  Fe54  1  0.969207  0.171175  0.598527  1
  Fe  Fe55  1  0.454337  0.576094  0.700873  1
  Fe  Fe56  1  0.359033  0.226465  0.641508  1
  Fe  Fe57  1  0.404349  0.899166  0.677368  1
  Fe  Fe58  1  0.962191  0.615758  0.697933  1
  Fe  Fe59  1  0.858654  0.268283  0.628003  1
  Fe  Fe60  1  0.909079  0.946406  0.662872  1
  Fe  Fe61  1  0.748777  0.784093  0.699684  1
  Fe  Fe62  1  0.669016  0.436139  0.632416  1
  Fe  Fe63  1  0.714683  0.108165  0.667923  1
  Fe  Fe64  1  0.278873  0.743727  0.702787  1
  Fe  Fe65  1  0.181068  0.407561  0.643650  1
  Fe  Fe66  1  0.244559  0.064779  0.670911  1
  Fe  Fe67  1  0.625276  0.700874  0.700428  1
  Fe  Fe68  1  0.524758  0.343798  0.634634  1
  Fe  Fe69  1  0.575702  0.015518  0.671416  1
  Fe  Fe70  1  0.019011  0.846788  0.636205  1
  Fe  Fe71  1  0.068868  0.514709  0.671921  1
  Fe  Fe72  1  0.096112  0.185648  0.701240  1
  P  P73  1  0.922210  0.475895  0.352948  1
  P  P74  1  0.827840  0.127916  0.281885  1
  P  P75  1  0.879586  0.803086  0.317000  1
  P  P76  1  0.343867  0.555306  0.300386  1
  P  P77  1  0.402554  0.231754  0.339222  1
  P  P78  1  0.449137  0.908267  0.371363  1
  P  P79  1  0.339474  0.713562  0.284170  1
  P  P80  1  0.376330  0.395249  0.319034  1
  P  P81  1  0.427407  0.067920  0.352189  1
  P  P82  1  0.897701  0.637577  0.335103  1
  P  P83  1  0.946784  0.314445  0.372261  1
  P  P84  1  0.851281  0.966791  0.299368  1
  P  P85  1  0.833265  0.579241  0.278379  1
  P  P86  1  0.880721  0.258794  0.314653  1
  P  P87  1  0.925275  0.928971  0.355664  1
  P  P88  1  0.446121  0.456302  0.372178  1
  P  P89  1  0.344618  0.115705  0.295043  1
  P  P90  1  0.400129  0.782106  0.333951  1
  P  P91  1  0.537586  0.505850  0.319183  1
  P  P92  1  0.583497  0.184893  0.357912  1
  P  P93  1  0.502375  0.832560  0.282917  1
  P  P94  1  1.003061  0.520557  0.297524  1
  P  P95  1  0.049690  0.191466  0.335740  1
  P  P96  1  0.100738  0.864356  0.370506  1
  P  P97  1  0.720139  0.693858  0.308258  1
  P  P98  1  0.765595  0.367201  0.350372  1
  P  P99  1  0.680107  0.016512  0.275450  1
  P  P100  1  0.248668  0.679995  0.337510  1
  P  P101  1  0.295411  0.360494  0.377477  1
  P  P102  1  0.197640  0.007019  0.301822  1
  P  P103  1  0.761839  0.749412  0.365211  1
  P  P104  1  0.661776  0.402630  0.289681  1
  P  P105  1  0.710666  0.077639  0.329632  1
  P  P106  1  0.163048  0.620830  0.287846  1
  P  P107  1  0.224129  0.281441  0.332068  1
  P  P108  1  0.259588  0.961007  0.360684  1
  P  P109  1  0.634902  0.470117  0.379239  1
  P  P110  1  0.535483  0.126377  0.301301  1
  P  P111  1  0.587770  0.795669  0.344803  1
  P  P112  1  0.092942  0.580082  0.344143  1
  P  P113  1  0.134287  0.257720  0.384244  1
  P  P114  1  0.040278  0.902455  0.304117  1
  P  P115  1  0.526672  0.674346  0.302444  1
  P  P116  1  0.563518  0.346759  0.341863  1
  P  P117  1  0.610812  0.022940  0.378435  1
  P  P118  1  0.976266  0.680002  0.280480  1
  P  P119  1  0.031652  0.355118  0.312508  1
  P  P120  1  0.076420  0.025476  0.350267  1
  P  P121  1  0.735837  0.526867  0.327877  1
  P  P122  1  0.782565  0.202533  0.366086  1
  P  P123  1  0.694692  0.853556  0.291540  1
  P  P124  1  0.270736  0.517031  0.356238  1
  P  P125  1  0.161804  0.181294  0.284952  1
  P  P126  1  0.223089  0.840832  0.318000  1
  P  P127  1  0.070039  0.741113  0.326454  1
  P  P128  1  0.116985  0.413310  0.361754  1
  P  P129  1  0.016377  0.067341  0.289105  1
  P  P130  1  0.613181  0.632499  0.358391  1
  P  P131  1  0.510866  0.291380  0.286380  1
  P  P132  1  0.566433  0.961740  0.321834  1
  P  P133  1  0.187596  0.454934  0.304126  1
  P  P134  1  0.232848  0.124679  0.346060  1
  P  P135  1  0.280018  0.803599  0.381225  1
  P  P136  1  0.784677  0.584614  0.384953  1
  P  P137  1  0.689730  0.240971  0.310065  1
  P  P138  1  0.735698  0.909763  0.347603  1
  P  P139  1  0.949116  0.766266  0.373719  1
  P  P140  1  0.851162  0.417744  0.295756  1
  P  P141  1  0.899899  0.091090  0.339145  1
  P  P142  1  0.425306  0.617384  0.350491  1
  P  P143  1  0.321346  0.278196  0.276649  1
  P  P144  1  0.378992  0.943424  0.310852  1
  P  P145  1  0.061110  0.504517  0.465047  1
  P  P146  1  0.965920  0.153752  0.392756  1
  P  P147  1  0.014218  0.829060  0.428016  1
  P  P148  1  0.497744  0.582203  0.408588  1
  P  P149  1  0.541886  0.256245  0.447642  1
  P  P150  1  0.586078  0.930938  0.484638  1
  P  P151  1  0.469155  0.743987  0.391124  1
  P  P152  1  0.517777  0.420396  0.429575  1
  P  P153  1  0.560430  0.093553  0.466094  1
  P  P154  1  0.039529  0.666566  0.446349  1
  P  P155  1  0.086011  0.342884  0.484818  1
  P  P156  1  0.992123  0.991653  0.409570  1
  P  P157  1  0.974346  0.602802  0.392227  1
  P  P158  1  0.018229  0.280434  0.431421  1
  P  P159  1  0.066354  0.955969  0.466893  1
  P  P160  1  0.584124  0.478759  0.484635  1
  P  P161  1  0.489454  0.129797  0.408215  1
  P  P162  1  0.537568  0.803100  0.445914  1
  P  P163  1  0.677658  0.534608  0.433827  1
  P  P164  1  0.722327  0.210366  0.471635  1
  P  P165  1  0.632249  0.861678  0.396740  1
  P  P166  1  0.148087  0.539435  0.405330  1
  P  P167  1  0.192303  0.218286  0.444502  1
  P  P168  1  0.239724  0.893441  0.480113  1
  P  P169  1  0.852449  0.712381  0.422753  1
  P  P170  1  0.898985  0.389177  0.460826  1
  P  P171  1  0.803113  0.037389  0.386665  1
  P  P172  1  0.387770  0.706458  0.448780  1
  P  P173  1  0.434260  0.382200  0.487400  1
  P  P174  1  0.340250  0.031370  0.409908  1
  P  P175  1  0.900086  0.776265  0.477876  1
  P  P176  1  0.808468  0.426457  0.405031  1
  P  P177  1  0.852808  0.101231  0.441859  1
  P  P178  1  0.308768  0.638384  0.400393  1
  P  P179  1  0.352265  0.315783  0.439733  1
  P  P180  1  0.398003  0.991453  0.475430  1
  P  P181  1  0.772398  0.494681  0.493294  1
  P  P182  1  0.679111  0.144878  0.417822  1
  P  P183  1  0.726020  0.818037  0.454605  1
  P  P184  1  0.228961  0.605797  0.456222  1
  P  P185  1  0.274737  0.281807  0.495160  1
  P  P186  1  0.184473  0.931345  0.418840  1
  P  P187  1  0.657759  0.697545  0.414300  1
  P  P188  1  0.704589  0.372761  0.453487  1
  P  P189  1  0.749905  0.048733  0.490637  1
  P  P190  1  0.124932  0.702812  0.388016  1
  P  P191  1  0.169548  0.381930  0.426502  1
  P  P192  1  0.216736  0.056415  0.461918  1
  P  P193  1  0.875642  0.551177  0.442010  1
  P  P194  1  0.919433  0.226567  0.480077  1
  P  P195  1  0.828076  0.874511  0.404349  1
  P  P196  1  0.410013  0.544771  0.468978  1
  P  P197  1  0.313860  0.195908  0.395413  1
  P  P198  1  0.363283  0.869672  0.431114  1
  P  P199  1  0.207716  0.765898  0.437700  1
  P  P200  1  0.254917  0.441310  0.476208  1
  P  P201  1  0.157573  0.089962  0.401114  1
  P  P202  1  0.749168  0.658686  0.472253  1
  P  P203  1  0.657474  0.309305  0.397533  1
  P  P204  1  0.702367  0.983516  0.435769  1
  P  P205  1  0.326702  0.481678  0.419837  1
  P  P206  1  0.372247  0.155326  0.456346  1
  P  P207  1  0.418379  0.830405  0.493192  1
  P  P208  1  0.923199  0.612590  0.497398  1
  P  P209  1  0.829327  0.261338  0.422898  1
  P  P210  1  0.876704  0.936884  0.459731  1
  P  P211  1  0.086742  0.793931  0.485547  1
  P  P212  1  0.995624  0.440831  0.410778  1
  P  P213  1  0.039982  0.118264  0.449901  1
  P  P214  1  0.562425  0.640663  0.464180  1
  P  P215  1  0.470002  0.292991  0.391539  1
  P  P216  1  0.515002  0.966348  0.427110  1
  P  P217  1  0.199113  0.528311  0.577487  1
  P  P218  1  0.107121  0.181456  0.503499  1
  P  P219  1  0.153804  0.854896  0.539593  1
  P  P220  1  0.633775  0.606872  0.522102  1
  P  P221  1  0.678543  0.281445  0.560265  1
  P  P222  1  0.726436  0.957216  0.596194  1
  P  P223  1  0.608224  0.768220  0.503182  1
  P  P224  1  0.653357  0.444177  0.542201  1
  P  P225  1  0.699128  0.118945  0.578963  1
  P  P226  1  0.178013  0.692096  0.558168  1
  P  P227  1  0.220660  0.367336  0.598866  1
  P  P228  1  0.132638  0.018114  0.520738  1
  P  P229  1  0.111744  0.631680  0.504185  1
  P  P230  1  0.158042  0.308137  0.543315  1
  P  P231  1  0.204377  0.981042  0.578318  1
  P  P232  1  0.720524  0.508280  0.597219  1
  P  P233  1  0.628077  0.154125  0.521631  1
  P  P234  1  0.676421  0.828984  0.557724  1
  P  P235  1  0.815177  0.562773  0.546250  1
  P  P236  1  0.861544  0.239075  0.583359  1
  P  P237  1  0.768688  0.886242  0.507591  1
  P  P238  1  0.284854  0.568936  0.517736  1
  P  P239  1  0.331309  0.244986  0.556352  1
  P  P240  1  0.378861  0.918447  0.592599  1
  P  P241  1  0.991892  0.740637  0.535016  1
  P  P242  1  0.035280  0.416362  0.572632  1
  P  P243  1  0.944592  0.063741  0.498446  1
  P  P244  1  0.527689  0.731209  0.560769  1
  P  P245  1  0.571030  0.408612  0.600279  1
  P  P246  1  0.479419  0.056940  0.524249  1
  P  P247  1  0.038891  0.803036  0.591039  1
  P  P248  1  0.945885  0.452595  0.515963  1
  P  P249  1  0.992368  0.128857  0.553312  1
  P  P250  1  0.444789  0.665036  0.512886  1
  P  P251  1  0.490047  0.339712  0.552178  1
  P  P252  1  0.535710  0.015409  0.589193  1
  P  P253  1  0.909902  0.521910  0.604518  1
  P  P254  1  0.817443  0.169619  0.530723  1
  P  P255  1  0.865663  0.846116  0.566289  1
  P  P256  1  0.368580  0.628386  0.568396  1
  P  P257  1  0.410036  0.304490  0.609079  1
  P  P258  1  0.322393  0.955469  0.531188  1
  P  P259  1  0.797751  0.724024  0.527324  1
  P  P260  1  0.841133  0.401456  0.565123  1
  P  P261  1  0.888710  0.076798  0.601941  1
  P  P262  1  0.262226  0.731564  0.499052  1
  P  P263  1  0.307235  0.407538  0.537889  1
  P  P264  1  0.354755  0.082028  0.574132  1
  P  P265  1  0.013077  0.579130  0.554144  1
  P  P266  1  0.059744  0.253912  0.592500  1
  P  P267  1  0.967283  0.902225  0.515983  1
  P  P268  1  0.547925  0.568811  0.580904  1
  P  P269  1  0.454131  0.219916  0.507021  1
  P  P270  1  0.501395  0.894277  0.543651  1
  P  P271  1  0.346065  0.789731  0.549479  1
  P  P272  1  0.392075  0.462591  0.588151  1
  P  P273  1  0.298706  0.116848  0.513142  1
  P  P274  1  0.889149  0.686876  0.585137  1
  P  P275  1  0.794491  0.334140  0.510481  1
  P  P276  1  0.841445  0.009591  0.547199  1
  P  P277  1  0.463330  0.504784  0.531376  1
  P  P278  1  0.509735  0.179518  0.569676  1
  P  P279  1  0.559337  0.855101  0.604970  1
  P  P280  1  0.061042  0.638601  0.610052  1
  P  P281  1  0.968983  0.288746  0.535298  1
  P  P282  1  0.015864  0.962688  0.571614  1
  P  P283  1  0.225356  0.818823  0.597584  1
  P  P284  1  0.131562  0.470297  0.523367  1
  P  P285  1  0.178595  0.144934  0.561225  1
  P  P286  1  0.701393  0.667751  0.577017  1
  P  P287  1  0.607523  0.316346  0.502888  1
  P  P288  1  0.653515  0.991556  0.539549  1
  P  P289  1  0.336951  0.552238  0.688597  1
  P  P290  1  0.247203  0.203905  0.615590  1
  P  P291  1  0.295109  0.878973  0.651249  1
  P  P292  1  0.774816  0.636419  0.635344  1
  P  P293  1  0.818907  0.309454  0.670972  1
  P  P294  1  0.872068  0.982655  0.706588  1
  P  P295  1  0.750894  0.795995  0.614207  1
  P  P296  1  0.793206  0.473369  0.653893  1
  P  P297  1  0.838651  0.143266  0.689229  1
  P  P298  1  0.321956  0.714024  0.665287  1
  P  P299  1  0.377076  0.391600  0.705671  1
  P  P300  1  0.273851  0.039895  0.631398  1
  P  P301  1  0.249736  0.654186  0.614937  1
  P  P302  1  0.290598  0.327042  0.657223  1
  P  P303  1  0.338060  0.992999  0.696977  1
  P  P304  1  0.867814  0.536899  0.711063  1
  P  P305  1  0.766252  0.182370  0.633282  1
  P  P306  1  0.818316  0.857530  0.670705  1
  P  P307  1  0.954358  0.586642  0.657622  1
  P  P308  1  0.990600  0.261679  0.698846  1
  P  P309  1  0.910256  0.912596  0.619850  1
  P  P310  1  0.424833  0.592269  0.629495  1
  P  P311  1  0.469783  0.266480  0.668645  1
  P  P312  1  0.522077  0.933234  0.703715  1
  P  P313  1  0.132213  0.766688  0.647050  1
  P  P314  1  0.178396  0.440904  0.688229  1
  P  P315  1  0.082382  0.089138  0.609035  1
  P  P316  1  0.666977  0.761674  0.668181  1
  P  P317  1  0.721373  0.430574  0.708632  1
  P  P318  1  0.615923  0.084308  0.637043  1
  P  P319  1  0.194463  0.833110  0.701782  1
  P  P320  1  0.083751  0.478683  0.628137  1
  P  P321  1  0.135845  0.152031  0.662568  1
  P  P322  1  0.580992  0.686804  0.625431  1
  P  P323  1  0.628479  0.365465  0.663702  1
  P  P324  1  0.679505  0.039214  0.701910  1
  P  P325  1  0.060236  0.550059  0.717469  1
  P  P326  1  0.957621  0.198916  0.642834  1
  P  P327  1  0.009422  0.875484  0.680825  1
  P  P328  1  0.502377  0.668293  0.684611  1
  P  P329  1  0.557920  0.330311  0.718610  1
  P  P330  1  0.455386  0.981594  0.646371  1
  P  P331  1  0.938075  0.750929  0.641502  1
  P  P332  1  0.979536  0.426091  0.679003  1
  P  P333  1  0.023825  0.100426  0.714677  1
  P  P334  1  0.401589  0.755866  0.609376  1
  P  P335  1  0.447461  0.431606  0.650703  1
  P  P336  1  0.496044  0.100902  0.688330  1
  P  P337  1  0.157556  0.603314  0.665343  1
  P  P338  1  0.183070  0.271962  0.706009  1
  P  P339  1  0.109677  0.929694  0.628961  1
  P  P340  1  0.687734  0.599099  0.693854  1
  P  P341  1  0.591922  0.246000  0.619475  1
  P  P342  1  0.642407  0.922171  0.654942  1
  P  P343  1  0.485090  0.818690  0.659103  1
  P  P344  1  0.537681  0.489184  0.703173  1
  P  P345  1  0.434712  0.139656  0.627005  1
  P  P346  1  0.039915  0.710734  0.696904  1
  P  P347  1  0.932417  0.362889  0.622301  1
  P  P348  1  0.981716  0.039413  0.658205  1
  P  P349  1  0.601495  0.531264  0.645711  1
  P  P350  1  0.650341  0.204584  0.682951  1
  P  P351  1  0.702326  0.876580  0.719151  1
  P  P352  1  0.217295  0.661966  0.721498  1
  P  P353  1  0.102678  0.317402  0.648725  1
  P  P354  1  0.152995  0.994112  0.684246  1
  P  P355  1  0.385050  0.814401  0.712004  1
  P  P356  1  0.272863  0.491120  0.636045  1
  P  P357  1  0.316575  0.161883  0.678380  1
  P  P358  1  0.846206  0.699335  0.695011  1
  P  P359  1  0.745400  0.344917  0.614445  1
  P  P360  1  0.792957  0.018945  0.650493  1
