# generated using pymatgen
data_FeP4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.52998488
_cell_length_b   31.45261035
_cell_length_c   54.60774938
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeP4
_chemical_formula_sum   'Fe96 P384'
_cell_volume   23238.510273
_cell_formula_units_Z   96
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  0.369323  0.545989  0.291570  1
  Fe  Fe2  1  0.371774  0.808927  0.353495  1
  Fe  Fe3  1  0.376430  0.175948  0.318058  1
  Fe  Fe4  1  0.127467  0.626504  0.371626  1
  Fe  Fe5  1  0.127480  0.990727  0.335682  1
  Fe  Fe6  1  0.132654  0.354848  0.308223  1
  Fe  Fe7  1  0.248980  0.402581  0.347185  1
  Fe  Fe8  1  0.253288  0.769330  0.312098  1
  Fe  Fe9  1  0.258086  0.040824  0.385387  1
  Fe  Fe10  1  0.248282  0.585862  0.328973  1
  Fe  Fe11  1  0.248471  0.953974  0.299850  1
  Fe  Fe12  1  0.243467  0.221791  0.367621  1
  Fe  Fe13  1  0.872520  0.490727  0.335682  1
  Fe  Fe14  1  0.867347  0.854848  0.308223  1
  Fe  Fe15  1  0.872534  0.126504  0.371626  1
  Fe  Fe16  1  0.623570  0.675948  0.318058  1
  Fe  Fe17  1  0.630678  0.045989  0.291570  1
  Fe  Fe18  1  0.628226  0.308927  0.353495  1
  Fe  Fe19  1  0.751530  0.453974  0.299850  1
  Fe  Fe20  1  0.756534  0.721791  0.367621  1
  Fe  Fe21  1  0.751719  0.085862  0.328973  1
  Fe  Fe22  1  0.741915  0.540824  0.385387  1
  Fe  Fe23  1  0.751020  0.902581  0.347185  1
  Fe  Fe24  1  0.746712  0.269330  0.312098  1
  Fe  Fe25  1  0.371482  0.444267  0.389791  1
  Fe  Fe26  1  0.372042  0.714730  0.464974  1
  Fe  Fe27  1  0.372623  0.079148  0.427559  1
  Fe  Fe28  1  0.127323  0.532151  0.483256  1
  Fe  Fe29  1  0.127546  0.897108  0.446342  1
  Fe  Fe30  1  0.128309  0.261734  0.409663  1
  Fe  Fe31  1  0.257966  0.310280  0.460212  1
  Fe  Fe32  1  0.256973  0.675323  0.423041  1
  Fe  Fe33  1  0.257168  0.945527  0.497009  1
  Fe  Fe34  1  0.242486  0.492887  0.441374  1
  Fe  Fe35  1  0.243376  0.858344  0.404299  1
  Fe  Fe36  1  0.242599  0.127772  0.478548  1
  Fe  Fe37  1  0.872454  0.397108  0.446342  1
  Fe  Fe38  1  0.871691  0.761734  0.409663  1
  Fe  Fe39  1  0.872677  0.032151  0.483256  1
  Fe  Fe40  1  0.627378  0.579148  0.427559  1
  Fe  Fe41  1  0.628519  0.944267  0.389791  1
  Fe  Fe42  1  0.627959  0.214730  0.464974  1
  Fe  Fe43  1  0.756625  0.358344  0.404299  1
  Fe  Fe44  1  0.757402  0.627772  0.478548  1
  Fe  Fe45  1  0.757514  0.992887  0.441374  1
  Fe  Fe46  1  0.742833  0.445527  0.497009  1
  Fe  Fe47  1  0.742035  0.810280  0.460212  1
  Fe  Fe48  1  0.743027  0.175323  0.423041  1
  Fe  Fe49  1  0.372930  0.349820  0.502238  1
  Fe  Fe50  1  0.372054  0.619963  0.576176  1
  Fe  Fe51  1  0.372356  0.984962  0.539085  1
  Fe  Fe52  1  0.128487  0.437071  0.595030  1
  Fe  Fe53  1  0.127161  0.802339  0.557723  1
  Fe  Fe54  1  0.127777  0.167534  0.520787  1
  Fe  Fe55  1  0.257624  0.216243  0.571857  1
  Fe  Fe56  1  0.256940  0.580525  0.534290  1
  Fe  Fe57  1  0.254731  0.850753  0.609752  1
  Fe  Fe58  1  0.243808  0.398284  0.553042  1
  Fe  Fe59  1  0.242688  0.763098  0.515916  1
  Fe  Fe60  1  0.242845  0.033583  0.589815  1
  Fe  Fe61  1  0.872840  0.302339  0.557723  1
  Fe  Fe62  1  0.872223  0.667534  0.520787  1
  Fe  Fe63  1  0.871514  0.937071  0.595030  1
  Fe  Fe64  1  0.627644  0.484962  0.539085  1
  Fe  Fe65  1  0.627070  0.849820  0.502238  1
  Fe  Fe66  1  0.627946  0.119963  0.576176  1
  Fe  Fe67  1  0.757312  0.263098  0.515916  1
  Fe  Fe68  1  0.757155  0.533583  0.589815  1
  Fe  Fe69  1  0.756192  0.898284  0.553042  1
  Fe  Fe70  1  0.745269  0.350753  0.609752  1
  Fe  Fe71  1  0.742377  0.716243  0.571857  1
  Fe  Fe72  1  0.743060  0.080525  0.534290  1
  Fe  Fe73  1  0.371881  0.255746  0.614440  1
  Fe  Fe74  1  0.370579  0.526903  0.687655  1
  Fe  Fe75  1  0.365856  0.892500  0.652104  1
  Fe  Fe76  1  0.129677  0.341717  0.699189  1
  Fe  Fe77  1  0.132762  0.709417  0.670561  1
  Fe  Fe78  1  0.133222  0.075457  0.634027  1
  Fe  Fe79  1  0.245666  0.116062  0.678067  1
  Fe  Fe80  1  0.258384  0.486311  0.645623  1
  Fe  Fe81  1  0.247994  0.748186  0.708314  1
  Fe  Fe82  1  0.243790  0.302973  0.662661  1
  Fe  Fe83  1  0.242774  0.667958  0.627300  1
  Fe  Fe84  1  0.256148  0.938197  0.691640  1
  Fe  Fe85  1  0.867239  0.209417  0.670561  1
  Fe  Fe86  1  0.866778  0.575457  0.634027  1
  Fe  Fe87  1  0.870324  0.841717  0.699189  1
  Fe  Fe88  1  0.634145  0.392500  0.652104  1
  Fe  Fe89  1  0.628119  0.755746  0.614440  1
  Fe  Fe90  1  0.629422  0.026903  0.687655  1
  Fe  Fe91  1  0.757226  0.167958  0.627300  1
  Fe  Fe92  1  0.743852  0.438197  0.691640  1
  Fe  Fe93  1  0.756211  0.802973  0.662661  1
  Fe  Fe94  1  0.752006  0.248186  0.708314  1
  Fe  Fe95  1  0.754334  0.616062  0.678067  1
  Fe  Fe96  1  0.741617  0.986311  0.645623  1
  P  P97  1  0.369458  0.424916  0.317727  1
  P  P98  1  0.371210  0.793284  0.282264  1
  P  P99  1  0.374473  0.061433  0.355344  1
  P  P100  1  0.126116  0.609299  0.299977  1
  P  P101  1  0.127543  0.880248  0.374606  1
  P  P102  1  0.128078  0.242866  0.337909  1
  P  P103  1  0.123736  0.424708  0.316884  1
  P  P104  1  0.124085  0.794510  0.283655  1
  P  P105  1  0.125144  0.061217  0.355643  1
  P  P106  1  0.118250  0.559088  0.354295  1
  P  P107  1  0.116919  0.922191  0.315080  1
  P  P108  1  0.126601  0.296374  0.282198  1
  P  P109  1  0.127683  0.379343  0.375033  1
  P  P110  1  0.127128  0.743814  0.337836  1
  P  P111  1  0.125747  0.111424  0.300415  1
  P  P112  1  0.001507  0.703369  0.291900  1
  P  P113  1  0.002152  0.968283  0.362997  1
  P  P114  1  0.002218  0.333434  0.329971  1
  P  P115  1  0.997848  0.468283  0.362997  1
  P  P116  1  0.997783  0.833434  0.329971  1
  P  P117  1  0.998493  0.203369  0.291900  1
  P  P118  1  0.374659  0.614163  0.299776  1
  P  P119  1  0.375370  0.879469  0.374722  1
  P  P120  1  0.376988  0.243343  0.338349  1
  P  P121  1  0.241405  0.515180  0.308514  1
  P  P122  1  0.249017  0.787455  0.383324  1
  P  P123  1  0.250328  0.151195  0.346301  1
  P  P124  1  0.992995  0.517820  0.307300  1
  P  P125  1  0.996993  0.787777  0.383820  1
  P  P126  1  0.998164  0.152548  0.345596  1
  P  P127  1  0.370866  0.561489  0.356218  1
  P  P128  1  0.376118  0.925089  0.317959  1
  P  P129  1  0.372162  0.290308  0.283466  1
  P  P130  1  0.001836  0.652548  0.345596  1
  P  P131  1  0.007006  0.017820  0.307300  1
  P  P132  1  0.003008  0.287777  0.383820  1
  P  P133  1  0.245929  0.702688  0.290088  1
  P  P134  1  0.251227  0.969567  0.365045  1
  P  P135  1  0.257835  0.331378  0.330015  1
  P  P136  1  0.380811  0.377372  0.373508  1
  P  P137  1  0.379946  0.741257  0.336496  1
  P  P138  1  0.378148  0.110404  0.297671  1
  P  P139  1  0.247193  0.471846  0.364226  1
  P  P140  1  0.248076  0.838228  0.328804  1
  P  P141  1  0.248666  0.201382  0.291672  1
  P  P142  1  0.251014  0.654970  0.346481  1
  P  P143  1  0.251614  0.022139  0.308948  1
  P  P144  1  0.252635  0.290284  0.384988  1
  P  P145  1  0.872457  0.380248  0.374606  1
  P  P146  1  0.871923  0.742866  0.337909  1
  P  P147  1  0.873885  0.109299  0.299977  1
  P  P148  1  0.625527  0.561433  0.355344  1
  P  P149  1  0.630542  0.924916  0.317727  1
  P  P150  1  0.628791  0.293284  0.282264  1
  P  P151  1  0.624631  0.379469  0.374722  1
  P  P152  1  0.623012  0.743343  0.338349  1
  P  P153  1  0.625342  0.114163  0.299776  1
  P  P154  1  0.621852  0.610404  0.297671  1
  P  P155  1  0.619190  0.877372  0.373508  1
  P  P156  1  0.620054  0.241257  0.336496  1
  P  P157  1  0.623882  0.425089  0.317959  1
  P  P158  1  0.627838  0.790308  0.283466  1
  P  P159  1  0.629134  0.061489  0.356218  1
  P  P160  1  0.501917  0.651185  0.346008  1
  P  P161  1  0.500679  0.017268  0.308522  1
  P  P162  1  0.504027  0.287757  0.383381  1
  P  P163  1  0.499322  0.517268  0.308522  1
  P  P164  1  0.495973  0.787757  0.383381  1
  P  P165  1  0.498083  0.151185  0.346008  1
  P  P166  1  0.874857  0.561217  0.355643  1
  P  P167  1  0.876265  0.924708  0.316884  1
  P  P168  1  0.875916  0.294510  0.283655  1
  P  P169  1  0.748773  0.469567  0.365045  1
  P  P170  1  0.742165  0.831378  0.330015  1
  P  P171  1  0.754071  0.202688  0.290088  1
  P  P172  1  0.496160  0.470070  0.363345  1
  P  P173  1  0.497086  0.834604  0.327307  1
  P  P174  1  0.498318  0.202888  0.289702  1
  P  P175  1  0.874253  0.611424  0.300415  1
  P  P176  1  0.872317  0.879343  0.375033  1
  P  P177  1  0.872873  0.243814  0.337836  1
  P  P178  1  0.501682  0.702888  0.289702  1
  P  P179  1  0.503840  0.970070  0.363345  1
  P  P180  1  0.502915  0.334604  0.327307  1
  P  P181  1  0.749673  0.651195  0.346301  1
  P  P182  1  0.758596  0.015180  0.308514  1
  P  P183  1  0.750983  0.287455  0.383324  1
  P  P184  1  0.883081  0.422191  0.315080  1
  P  P185  1  0.873400  0.796374  0.282198  1
  P  P186  1  0.881750  0.059088  0.354295  1
  P  P187  1  0.748387  0.522139  0.308948  1
  P  P188  1  0.747365  0.790284  0.384988  1
  P  P189  1  0.748987  0.154970  0.346481  1
  P  P190  1  0.751335  0.701382  0.291672  1
  P  P191  1  0.752808  0.971846  0.364226  1
  P  P192  1  0.751924  0.338228  0.328804  1
  P  P193  1  0.374153  0.332295  0.430752  1
  P  P194  1  0.372822  0.696924  0.393276  1
  P  P195  1  0.374146  0.967230  0.467665  1
  P  P196  1  0.126699  0.513959  0.411249  1
  P  P197  1  0.125963  0.784791  0.486445  1
  P  P198  1  0.126225  0.149479  0.449239  1
  P  P199  1  0.125436  0.331997  0.431076  1
  P  P200  1  0.124843  0.696450  0.393540  1
  P  P201  1  0.125202  0.967100  0.467560  1
  P  P202  1  0.118619  0.464575  0.466478  1
  P  P203  1  0.118448  0.829886  0.429527  1
  P  P204  1  0.118468  0.193990  0.392568  1
  P  P205  1  0.128581  0.284548  0.485419  1
  P  P206  1  0.127586  0.649402  0.448115  1
  P  P207  1  0.127426  0.013962  0.410207  1
  P  P208  1  0.003531  0.604583  0.401585  1
  P  P209  1  0.003753  0.875363  0.476324  1
  P  P210  1  0.003939  0.240104  0.439354  1
  P  P211  1  0.996247  0.375363  0.476324  1
  P  P212  1  0.996061  0.740104  0.439354  1
  P  P213  1  0.996469  0.104583  0.401585  1
  P  P214  1  0.373946  0.513905  0.411626  1
  P  P215  1  0.374534  0.784683  0.486364  1
  P  P216  1  0.374889  0.149182  0.449095  1
  P  P217  1  0.249930  0.422328  0.420037  1
  P  P218  1  0.249046  0.692524  0.494574  1
  P  P219  1  0.249290  0.057018  0.456994  1
  P  P220  1  0.997585  0.423480  0.420222  1
  P  P221  1  0.997953  0.693462  0.494874  1
  P  P222  1  0.998261  0.057917  0.457101  1
  P  P223  1  0.371879  0.467009  0.466522  1
  P  P224  1  0.372008  0.832098  0.429511  1
  P  P225  1  0.372843  0.196210  0.392491  1
  P  P226  1  0.001740  0.557917  0.457101  1
  P  P227  1  0.002415  0.923480  0.420222  1
  P  P228  1  0.002048  0.193462  0.494874  1
  P  P229  1  0.249562  0.604746  0.401512  1
  P  P230  1  0.250577  0.874847  0.475917  1
  P  P231  1  0.251214  0.239476  0.439089  1
  P  P232  1  0.382080  0.282299  0.485440  1
  P  P233  1  0.381217  0.647152  0.448055  1
  P  P234  1  0.382835  0.011934  0.410395  1
  P  P235  1  0.248015  0.378742  0.477152  1
  P  P236  1  0.247281  0.743655  0.439945  1
  P  P237  1  0.247588  0.107933  0.402626  1
  P  P238  1  0.252041  0.560977  0.458187  1
  P  P239  1  0.253102  0.926180  0.421509  1
  P  P240  1  0.252930  0.196195  0.495801  1
  P  P241  1  0.874037  0.284791  0.486445  1
  P  P242  1  0.873775  0.649479  0.449239  1
  P  P243  1  0.873302  0.013959  0.411249  1
  P  P244  1  0.625855  0.467230  0.467665  1
  P  P245  1  0.625847  0.832295  0.430752  1
  P  P246  1  0.627178  0.196924  0.393276  1
  P  P247  1  0.625467  0.284683  0.486364  1
  P  P248  1  0.625111  0.649182  0.449095  1
  P  P249  1  0.626054  0.013905  0.411626  1
  P  P250  1  0.617165  0.511934  0.410395  1
  P  P251  1  0.617920  0.782299  0.485440  1
  P  P252  1  0.618784  0.147152  0.448055  1
  P  P253  1  0.627992  0.332098  0.429511  1
  P  P254  1  0.627157  0.696210  0.392491  1
  P  P255  1  0.628122  0.967009  0.466522  1
  P  P256  1  0.503314  0.557455  0.457414  1
  P  P257  1  0.503965  0.922774  0.420192  1
  P  P258  1  0.504102  0.192865  0.494840  1
  P  P259  1  0.496035  0.422774  0.420192  1
  P  P260  1  0.495898  0.692865  0.494840  1
  P  P261  1  0.496686  0.057455  0.457414  1
  P  P262  1  0.874799  0.467100  0.467560  1
  P  P263  1  0.874565  0.831997  0.431076  1
  P  P264  1  0.875158  0.196450  0.393540  1
  P  P265  1  0.749424  0.374847  0.475917  1
  P  P266  1  0.748786  0.739476  0.439089  1
  P  P267  1  0.750439  0.104746  0.401512  1
  P  P268  1  0.498542  0.375967  0.476105  1
  P  P269  1  0.497902  0.740710  0.438901  1
  P  P270  1  0.498409  0.105459  0.401714  1
  P  P271  1  0.872574  0.513962  0.410207  1
  P  P272  1  0.871420  0.784548  0.485419  1
  P  P273  1  0.872415  0.149402  0.448115  1
  P  P274  1  0.501592  0.605459  0.401714  1
  P  P275  1  0.501458  0.875967  0.476105  1
  P  P276  1  0.502099  0.240710  0.438901  1
  P  P277  1  0.750710  0.557018  0.456994  1
  P  P278  1  0.750070  0.922328  0.420037  1
  P  P279  1  0.750954  0.192524  0.494574  1
  P  P280  1  0.881552  0.329886  0.429527  1
  P  P281  1  0.881533  0.693990  0.392568  1
  P  P282  1  0.881382  0.964575  0.466478  1
  P  P283  1  0.746899  0.426180  0.421509  1
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  P  P480  1  0.751768  0.054885  0.662100  1
