# generated using pymatgen
data_FeP4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   20.53367529
_cell_length_b   9.56325931
_cell_length_c   51.51602838
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   76.43006142
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeP4
_chemical_formula_sum   'Fe40 P160'
_cell_volume   9833.74398378
_cell_formula_units_Z   40
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  0.343190  0.447151  0.344936  1
  Fe  Fe2  1  0.873095  0.686442  0.299034  1
  Fe  Fe3  1  0.465645  0.883493  0.356309  1
  Fe  Fe4  1  0.994631  0.121321  0.310825  1
  Fe  Fe5  1  0.608136  0.563475  0.321976  1
  Fe  Fe6  1  0.139834  0.802790  0.277730  1
  Fe  Fe7  1  0.728210  1.002303  0.333241  1
  Fe  Fe8  1  0.261177  0.236955  0.289416  1
  Fe  Fe9  1  0.285812  0.971551  0.435480  1
  Fe  Fe10  1  0.814124  0.209230  0.389200  1
  Fe  Fe11  1  0.407085  0.409932  0.447248  1
  Fe  Fe12  1  0.935693  0.646575  0.401145  1
  Fe  Fe13  1  0.550420  0.089541  0.412657  1
  Fe  Fe14  1  0.078785  0.327589  0.366860  1
  Fe  Fe15  1  0.671510  0.528736  0.424143  1
  Fe  Fe16  1  0.200496  0.764337  0.378769  1
  Fe  Fe17  1  0.227828  0.498021  0.526378  1
  Fe  Fe18  1  0.756679  0.734458  0.480664  1
  Fe  Fe19  1  0.349044  0.935958  0.538189  1
  Fe  Fe20  1  0.877530  0.173390  0.492262  1
  Fe  Fe21  1  0.492503  0.616056  0.503827  1
  Fe  Fe22  1  0.020989  0.853488  0.457899  1
  Fe  Fe23  1  0.613354  0.054988  0.515424  1
  Fe  Fe24  1  0.142205  0.291426  0.469710  1
  Fe  Fe25  1  0.169537  0.025110  0.617319  1
  Fe  Fe26  1  0.698523  0.260710  0.571945  1
  Fe  Fe27  1  0.291248  0.461858  0.629228  1
  Fe  Fe28  1  0.819613  0.699906  0.583432  1
  Fe  Fe29  1  0.434340  0.142871  0.594944  1
  Fe  Fe30  1  0.962948  0.379514  0.548841  1
  Fe  Fe31  1  0.555909  0.580217  0.606889  1
  Fe  Fe32  1  0.084221  0.817895  0.560608  1
  Fe  Fe33  1  0.108856  0.552491  0.706673  1
  Fe  Fe34  1  0.641823  0.787144  0.662847  1
  Fe  Fe35  1  0.230199  0.986656  0.718358  1
  Fe  Fe36  1  0.761897  0.225972  0.674113  1
  Fe  Fe37  1  0.375402  0.668125  0.685264  1
  Fe  Fe38  1  0.904388  0.905953  0.639780  1
  Fe  Fe39  1  0.496938  0.103004  0.697055  1
  Fe  Fe40  1  0.026843  0.342295  0.651152  1
  P  P41  1  0.655257  0.671271  0.351234  1
  P  P42  1  0.187632  0.908033  0.306496  1
  P  P43  1  0.766158  0.360954  0.359475  1
  P  P44  1  0.297652  0.594287  0.314017  1
  P  P45  1  0.447826  0.514909  0.284672  1
  P  P46  1  0.916151  0.289872  0.328056  1
  P  P47  1  0.278801  0.853817  0.361820  1
  P  P48  1  0.806145  0.091035  0.315044  1
  P  P49  1  0.419557  0.771829  0.326990  1
  P  P50  1  0.950032  0.014268  0.280196  1
  P  P51  1  0.682085  0.390114  0.302418  1
  P  P52  1  0.155966  0.158030  0.349194  1
  P  P53  1  0.307073  0.086047  0.318925  1
  P  P54  1  0.835045  0.327296  0.273410  1
  P  P55  1  0.794309  0.594235  0.315194  1
  P  P56  1  0.331453  0.833082  0.273920  1
  P  P57  1  0.446418  0.016947  0.284736  1
  P  P58  1  0.920671  0.789226  0.328769  1
  P  P59  1  0.560848  0.714981  0.291886  1
  P  P60  1  0.031596  0.479625  0.337154  1
  P  P61  1  0.650794  0.171723  0.350630  1
  P  P62  1  0.181505  0.406421  0.304935  1
  P  P63  1  0.542115  0.974666  0.338134  1
  P  P64  1  0.072217  0.209313  0.292204  1
  P  P65  1  0.683412  0.897342  0.302319  1
  P  P66  1  0.154500  0.657375  0.348723  1
  P  P67  1  0.419340  0.275396  0.326691  1
  P  P68  1  0.947909  0.510494  0.280908  1
  P  P69  1  0.564882  0.210974  0.295207  1
  P  P70  1  0.042905  0.967029  0.339910  1
  P  P71  1  0.530719  0.472484  0.339511  1
  P  P72  1  0.060524  0.711921  0.292835  1
  P  P73  1  0.597126  0.196124  0.442492  1
  P  P74  1  0.125604  0.432905  0.396907  1
  P  P75  1  0.708783  0.887881  0.451284  1
  P  P76  1  0.237799  0.124076  0.405936  1
  P  P77  1  0.388488  0.052145  0.374448  1
  P  P78  1  0.858715  0.816314  0.419084  1
  P  P79  1  0.220088  0.381951  0.452621  1
  P  P80  1  0.749068  0.618880  0.406716  1
  P  P81  1  0.360264  0.303338  0.417463  1
  P  P82  1  0.889000  0.540449  0.371178  1
  P  P83  1  0.627271  0.920868  0.394498  1
  P  P84  1  0.098066  0.683622  0.440121  1
  P  P85  1  0.248149  0.612465  0.408474  1
  P  P86  1  0.777395  0.849198  0.362362  1
  P  P87  1  0.736893  0.117965  0.406659  1
  P  P88  1  0.265645  0.355603  0.361968  1
  P  P89  1  0.390758  0.550905  0.374769  1
  P  P90  1  0.860975  0.314538  0.419236  1
  P  P91  1  0.502201  0.242325  0.383269  1
  P  P92  1  0.972944  0.006275  0.428400  1
  P  P93  1  0.594549  0.697598  0.442267  1
  P  P94  1  0.123530  0.934356  0.396641  1
  P  P95  1  0.484982  0.500044  0.430017  1
  P  P96  1  0.013760  0.737217  0.384172  1
  P  P97  1  0.625034  0.421356  0.394380  1
  P  P98  1  0.095521  0.185276  0.439797  1
  P  P99  1  0.363046  0.801881  0.417707  1
  P  P100  1  0.891389  0.039523  0.371471  1
  P  P101  1  0.513362  0.730467  0.385733  1
  P  P102  1  0.983478  0.493931  0.430702  1
  P  P103  1  0.472884  0.999211  0.430118  1
  P  P104  1  1.001297  0.236352  0.384102  1
  P  P105  1  0.539132  0.722472  0.533722  1
  P  P106  1  0.067710  0.959577  0.487803  1
  P  P107  1  0.650731  0.414294  0.542581  1
  P  P108  1  0.179701  0.650803  0.496901  1
  P  P109  1  0.329978  0.579313  0.465128  1
  P  P110  1  0.800507  0.342585  0.510284  1
  P  P111  1  0.162076  0.908426  0.543479  1
  P  P112  1  0.690951  0.145346  0.498045  1
  P  P113  1  0.302323  0.829869  0.508286  1
  P  P114  1  0.830900  0.066975  0.462367  1
  P  P115  1  0.569526  0.446861  0.485804  1
  P  P116  1  0.040055  0.210134  0.530960  1
  P  P117  1  0.190332  0.138644  0.499188  1
  P  P118  1  0.719302  0.375152  0.453507  1
  P  P119  1  0.679081  0.644101  0.498044  1
  P  P120  1  0.207957  0.881020  0.452610  1
  P  P121  1  0.332557  0.077713  0.465368  1
  P  P122  1  0.803141  0.841306  0.510521  1
  P  P123  1  0.444505  0.769122  0.474404  1
  P  P124  1  0.914902  0.532694  0.519444  1
  P  P125  1  0.536407  0.224192  0.533457  1
  P  P126  1  0.065102  0.461078  0.487548  1
  P  P127  1  0.426806  0.026748  0.521048  1
  P  P128  1  0.955269  0.263906  0.475050  1
  P  P129  1  0.566892  0.948141  0.485567  1
  P  P130  1  0.037476  0.711733  0.530720  1
  P  P131  1  0.304931  0.328369  0.508541  1
  P  P132  1  0.833626  0.565255  0.462632  1
  P  P133  1  0.455131  0.256752  0.476644  1
  P  P134  1  0.925528  0.020324  0.521685  1
  P  P135  1  0.414764  0.525541  0.521039  1
  P  P136  1  0.943227  0.762698  0.475041  1
  P  P137  1  0.481033  0.248998  0.624911  1
  P  P138  1  0.009769  0.486109  0.578625  1
  P  P139  1  0.592638  0.940248  0.633727  1
  P  P140  1  0.121884  0.176981  0.587615  1
  P  P141  1  0.271967  0.105824  0.555967  1
  P  P142  1  0.742762  0.868578  0.601590  1
  P  P143  1  0.104388  0.433844  0.634121  1
  P  P144  1  0.633140  0.671482  0.589430  1
  P  P145  1  0.244429  0.356542  0.599182  1
  P  P146  1  0.772907  0.593323  0.553597  1
  P  P147  1  0.511318  0.973132  0.577005  1
  P  P148  1  0.981545  0.737302  0.621641  1
  P  P149  1  0.132234  0.665370  0.590153  1
  P  P150  1  0.661250  0.901566  0.544805  1
  P  P151  1  0.620965  0.170566  0.589372  1
  P  P152  1  0.149945  0.407496  0.543467  1
  P  P153  1  0.274512  0.604171  0.556292  1
  P  P154  1  0.744999  0.368091  0.601708  1
  P  P155  1  0.386555  0.295516  0.565387  1
  P  P156  1  0.856671  0.058980  0.610356  1
  P  P157  1  0.478644  0.749923  0.624617  1
  P  P158  1  0.006987  0.987565  0.578382  1
  P  P159  1  0.368736  0.553095  0.611987  1
  P  P160  1  0.897149  0.790236  0.565970  1
  P  P161  1  0.509058  0.474908  0.576853  1
  P  P162  1  0.979275  0.238541  0.621320  1
  P  P163  1  0.246503  0.855091  0.599447  1
  P  P164  1  0.775484  0.091848  0.553821  1
  P  P165  1  0.397088  0.783171  0.567688  1
  P  P166  1  0.867831  0.547121  0.612820  1
  P  P167  1  0.356273  0.052229  0.611917  1
  P  P168  1  0.885051  0.289403  0.566072  1
  P  P169  1  0.420000  0.775178  0.715892  1
  P  P170  1  0.950476  0.017618  0.669098  1
  P  P171  1  0.534988  0.462151  0.722679  1
  P  P172  1  0.062960  0.703399  0.677164  1
  P  P173  1  0.214067  0.631416  0.646895  1
  P  P174  1  0.687947  0.399333  0.693670  1
  P  P175  1  0.038580  0.956365  0.722169  1
  P  P176  1  0.575724  0.195212  0.680895  1
  P  P177  1  0.182401  0.881413  0.689593  1
  P  P178  1  0.714776  0.118176  0.644855  1
  P  P179  1  0.453882  0.499574  0.668033  1
  P  P180  1  0.922207  0.274538  0.711417  1
  P  P181  1  0.072381  0.195160  0.682072  1
  P  P182  1  0.603875  0.428493  0.636613  1
  P  P183  1  0.563888  0.698412  0.681045  1
  P  P184  1  0.091232  0.935629  0.634268  1
  P  P185  1  0.215533  0.132071  0.647366  1
  P  P186  1  0.686621  0.892105  0.693770  1
  P  P187  1  0.327128  0.822418  0.656178  1
  P  P188  1  0.805151  0.578473  0.700882  1
  P  P189  1  0.422124  0.278953  0.715180  1
  P  P190  1  0.950693  0.514051  0.669397  1
  P  P191  1  0.309509  0.077526  0.703253  1
  P  P192  1  0.839313  0.316962  0.656578  1
  P  P193  1  0.449362  1.000220  0.667319  1
  P  P194  1  0.923615  0.772500  0.711353  1
  P  P195  1  0.188527  0.383025  0.691153  1
  P  P196  1  0.719239  0.617724  0.645458  1
  P  P197  1  0.338437  0.309822  0.658935  1
  P  P198  1  0.809185  0.074466  0.704202  1
  P  P199  1  0.297816  0.580134  0.703885  1
  P  P200  1  0.827918  0.814780  0.657955  1
