# generated using pymatgen
data_FeP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.94813344
_cell_length_b   15.04074755
_cell_length_c   47.83779527
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   66.93166389
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeP
_chemical_formula_sum   'Fe160 P160'
_cell_volume   9895.40088346
_cell_formula_units_Z   160
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  0.872300  0.040439  0.292902  1
  Fe  Fe2  1  0.331135  0.982781  0.313782  1
  Fe  Fe3  1  0.831135  0.482781  0.313782  1
  Fe  Fe4  1  0.372300  0.540439  0.292902  1
  Fe  Fe5  1  0.307301  0.185230  0.320158  1
  Fe  Fe6  1  0.856776  0.230648  0.298078  1
  Fe  Fe7  1  0.356776  0.730648  0.298078  1
  Fe  Fe8  1  0.807301  0.685230  0.320158  1
  Fe  Fe9  1  0.127605  0.291950  0.291751  1
  Fe  Fe10  1  0.577848  0.242310  0.313796  1
  Fe  Fe11  1  0.077848  0.742310  0.313796  1
  Fe  Fe12  1  0.627605  0.791950  0.291751  1
  Fe  Fe13  1  0.061212  0.936084  0.318055  1
  Fe  Fe14  1  0.623150  0.975448  0.297747  1
  Fe  Fe15  1  0.123150  0.475448  0.297747  1
  Fe  Fe16  1  0.561212  0.436084  0.318055  1
  Fe  Fe17  1  0.786281  0.946874  0.329455  1
  Fe  Fe18  1  0.234524  0.901145  0.351334  1
  Fe  Fe19  1  0.734524  0.401145  0.351334  1
  Fe  Fe20  1  0.286281  0.446874  0.329455  1
  Fe  Fe21  1  0.217712  0.095626  0.355302  1
  Fe  Fe22  1  0.767792  0.146788  0.334652  1
  Fe  Fe23  1  0.267792  0.646788  0.334652  1
  Fe  Fe24  1  0.717712  0.595626  0.355302  1
  Fe  Fe25  1  0.035248  0.194243  0.325081  1
  Fe  Fe26  1  0.476545  0.152351  0.350853  1
  Fe  Fe27  1  0.976545  0.652351  0.350853  1
  Fe  Fe28  1  0.535248  0.694243  0.325081  1
  Fe  Fe29  1  0.970210  0.840778  0.357506  1
  Fe  Fe30  1  0.521762  0.891272  0.334220  1
  Fe  Fe31  1  0.021762  0.391272  0.334220  1
  Fe  Fe32  1  0.470210  0.340778  0.357506  1
  Fe  Fe33  1  0.673095  0.842816  0.378686  1
  Fe  Fe34  1  0.126001  0.793424  0.400387  1
  Fe  Fe35  1  0.626001  0.293424  0.400387  1
  Fe  Fe36  1  0.173095  0.342816  0.378686  1
  Fe  Fe37  1  0.108843  0.994339  0.403766  1
  Fe  Fe38  1  0.658771  0.040369  0.382128  1
  Fe  Fe39  1  0.158771  0.540369  0.382128  1
  Fe  Fe40  1  0.608843  0.494339  0.403766  1
  Fe  Fe41  1  0.920060  0.096199  0.378162  1
  Fe  Fe42  1  0.370997  0.046797  0.399445  1
  Fe  Fe43  1  0.870997  0.546797  0.399445  1
  Fe  Fe44  1  0.420060  0.596199  0.378162  1
  Fe  Fe45  1  0.864101  0.742705  0.405961  1
  Fe  Fe46  1  0.408968  0.791743  0.385668  1
  Fe  Fe47  1  0.908968  0.291743  0.385668  1
  Fe  Fe48  1  0.364101  0.242705  0.405961  1
  Fe  Fe49  1  0.582038  0.751466  0.419571  1
  Fe  Fe50  1  0.033504  0.704447  0.442274  1
  Fe  Fe51  1  0.533504  0.204447  0.442274  1
  Fe  Fe52  1  0.082038  0.251466  0.419571  1
  Fe  Fe53  1  0.014627  0.903995  0.446772  1
  Fe  Fe54  1  0.564231  0.950971  0.423594  1
  Fe  Fe55  1  0.064231  0.450971  0.423594  1
  Fe  Fe56  1  0.514627  0.403995  0.446772  1
  Fe  Fe57  1  0.825520  0.002810  0.418951  1
  Fe  Fe58  1  0.275987  0.957983  0.441097  1
  Fe  Fe59  1  0.775987  0.457983  0.441097  1
  Fe  Fe60  1  0.325520  0.502810  0.418951  1
  Fe  Fe61  1  0.771082  0.650982  0.447634  1
  Fe  Fe62  1  0.318340  0.698295  0.426033  1
  Fe  Fe63  1  0.818340  0.198295  0.426033  1
  Fe  Fe64  1  0.271082  0.150982  0.447634  1
  Fe  Fe65  1  0.485340  0.658094  0.464370  1
  Fe  Fe66  1  0.938624  0.611806  0.485758  1
  Fe  Fe67  1  0.438624  0.111806  0.485758  1
  Fe  Fe68  1  0.985340  0.158094  0.464370  1
  Fe  Fe69  1  0.919638  0.811253  0.489882  1
  Fe  Fe70  1  0.466535  0.856760  0.468701  1
  Fe  Fe71  1  0.966535  0.356760  0.468701  1
  Fe  Fe72  1  0.419638  0.311253  0.489882  1
  Fe  Fe73  1  0.728737  0.911413  0.462894  1
  Fe  Fe74  1  0.181369  0.864776  0.484896  1
  Fe  Fe75  1  0.681369  0.364776  0.484896  1
  Fe  Fe76  1  0.228737  0.411413  0.462894  1
  Fe  Fe77  1  0.676724  0.559429  0.491146  1
  Fe  Fe78  1  0.224365  0.604982  0.469445  1
  Fe  Fe79  1  0.724365  0.104982  0.469445  1
  Fe  Fe80  1  0.176724  0.059429  0.491146  1
  Fe  Fe81  1  0.391052  0.565927  0.507693  1
  Fe  Fe82  1  0.844155  0.520420  0.528874  1
  Fe  Fe83  1  0.344155  0.020420  0.528874  1
  Fe  Fe84  1  0.891052  0.065927  0.507693  1
  Fe  Fe85  1  0.825350  0.719086  0.533205  1
  Fe  Fe86  1  0.372066  0.765374  0.511817  1
  Fe  Fe87  1  0.872066  0.265374  0.511817  1
  Fe  Fe88  1  0.325350  0.219086  0.533205  1
  Fe  Fe89  1  0.633966  0.817751  0.506430  1
  Fe  Fe90  1  0.086325  0.772199  0.528130  1
  Fe  Fe91  1  0.586325  0.272199  0.528130  1
  Fe  Fe92  1  0.133966  0.317751  0.506430  1
  Fe  Fe93  1  0.581953  0.465767  0.534681  1
  Fe  Fe94  1  0.129321  0.512404  0.512679  1
  Fe  Fe95  1  0.629321  0.012404  0.512679  1
  Fe  Fe96  1  0.081953  0.965767  0.534681  1
  Fe  Fe97  1  0.296062  0.473185  0.550803  1
  Fe  Fe98  1  0.746459  0.426209  0.573981  1
  Fe  Fe99  1  0.246459  0.926209  0.573981  1
  Fe  Fe100  1  0.796062  0.973185  0.550803  1
  Fe  Fe101  1  0.728652  0.625714  0.578004  1
  Fe  Fe102  1  0.277186  0.672733  0.555301  1
  Fe  Fe103  1  0.777186  0.172733  0.555301  1
  Fe  Fe104  1  0.228652  0.125714  0.578004  1
  Fe  Fe105  1  0.539608  0.726198  0.549941  1
  Fe  Fe106  1  0.992350  0.678885  0.571542  1
  Fe  Fe107  1  0.492350  0.178885  0.571542  1
  Fe  Fe108  1  0.039608  0.226198  0.549941  1
  Fe  Fe109  1  0.485170  0.374370  0.578624  1
  Fe  Fe110  1  0.034703  0.419197  0.556478  1
  Fe  Fe111  1  0.534703  0.919197  0.556478  1
  Fe  Fe112  1  0.985170  0.874370  0.578624  1
  Fe  Fe113  1  0.201847  0.382841  0.593810  1
  Fe  Fe114  1  0.651919  0.336811  0.615447  1
  Fe  Fe115  1  0.151919  0.836811  0.615447  1
  Fe  Fe116  1  0.701847  0.882841  0.593810  1
  Fe  Fe117  1  0.637595  0.534364  0.618889  1
  Fe  Fe118  1  0.184689  0.583756  0.597188  1
  Fe  Fe119  1  0.684689  0.083756  0.597188  1
  Fe  Fe120  1  0.137595  0.034364  0.618889  1
  Fe  Fe121  1  0.446589  0.634475  0.591614  1
  Fe  Fe122  1  0.901722  0.585437  0.611907  1
  Fe  Fe123  1  0.401722  0.085437  0.611907  1
  Fe  Fe124  1  0.946589  0.134475  0.591614  1
  Fe  Fe125  1  0.390630  0.280981  0.619413  1
  Fe  Fe126  1  0.939693  0.330383  0.598130  1
  Fe  Fe127  1  0.439693  0.830383  0.598130  1
  Fe  Fe128  1  0.890630  0.780981  0.619413  1
  Fe  Fe129  1  0.092978  0.281554  0.642273  1
  Fe  Fe130  1  0.542898  0.230392  0.662923  1
  Fe  Fe131  1  0.042898  0.730392  0.662923  1
  Fe  Fe132  1  0.592978  0.781554  0.642273  1
  Fe  Fe133  1  0.524409  0.430306  0.668120  1
  Fe  Fe134  1  0.076166  0.476035  0.646241  1
  Fe  Fe135  1  0.576166  0.976035  0.646241  1
  Fe  Fe136  1  0.024409  0.930306  0.668120  1
  Fe  Fe137  1  0.340480  0.536402  0.640069  1
  Fe  Fe138  1  0.788928  0.485908  0.663355  1
  Fe  Fe139  1  0.288928  0.985908  0.663355  1
  Fe  Fe140  1  0.840480  0.036402  0.640069  1
  Fe  Fe141  1  0.275442  0.182937  0.672494  1
  Fe  Fe142  1  0.834145  0.224829  0.646722  1
  Fe  Fe143  1  0.334145  0.724829  0.646722  1
  Fe  Fe144  1  0.775442  0.682937  0.672494  1
  Fe  Fe145  1  0.003389  0.191950  0.677417  1
  Fe  Fe146  1  0.453914  0.146532  0.699497  1
  Fe  Fe147  1  0.953914  0.646532  0.699497  1
  Fe  Fe148  1  0.503389  0.691950  0.677417  1
  Fe  Fe149  1  0.438390  0.336741  0.704674  1
  Fe  Fe150  1  0.979555  0.394399  0.683793  1
  Fe  Fe151  1  0.479555  0.894399  0.683793  1
  Fe  Fe152  1  0.938390  0.836741  0.704674  1
  Fe  Fe153  1  0.249478  0.441096  0.679520  1
  Fe  Fe154  1  0.687539  0.401732  0.699828  1
  Fe  Fe155  1  0.187539  0.901732  0.699828  1
  Fe  Fe156  1  0.749478  0.941096  0.679520  1
  Fe  Fe157  1  0.183085  0.085230  0.705824  1
  Fe  Fe158  1  0.732842  0.134871  0.683779  1
  Fe  Fe159  1  0.232842  0.634871  0.683779  1
  Fe  Fe160  1  0.683085  0.585230  0.705824  1
  P  P161  1  0.960938  0.329683  0.294046  1
  P  P162  1  0.417342  0.279190  0.316305  1
  P  P163  1  0.917342  0.779190  0.316305  1
  P  P164  1  0.460938  0.829683  0.294046  1
  P  P165  1  0.224283  0.901252  0.299289  1
  P  P166  1  0.776566  0.954185  0.276929  1
  P  P167  1  0.276566  0.454185  0.276929  1
  P  P168  1  0.724283  0.401252  0.299289  1
  P  P169  1  0.001637  0.088927  0.287439  1
  P  P170  1  0.453085  0.050864  0.308765  1
  P  P171  1  0.953085  0.550864  0.308765  1
  P  P172  1  0.501637  0.588927  0.287439  1
  P  P173  1  0.196141  0.128964  0.304444  1
  P  P174  1  0.725877  0.185973  0.284841  1
  P  P175  1  0.225877  0.685973  0.284841  1
  P  P176  1  0.696141  0.628964  0.304444  1
  P  P177  1  0.873773  0.230465  0.345043  1
  P  P178  1  0.319106  0.180685  0.367574  1
  P  P179  1  0.819106  0.680685  0.367574  1
  P  P180  1  0.373773  0.730465  0.345043  1
  P  P181  1  0.136349  0.805455  0.347885  1
  P  P182  1  0.688244  0.849418  0.326672  1
  P  P183  1  0.188244  0.349418  0.326672  1
  P  P184  1  0.636349  0.305455  0.347885  1
  P  P185  1  0.904220  1.000389  0.337599  1
  P  P186  1  0.359392  0.946993  0.358384  1
  P  P187  1  0.859392  0.446993  0.358384  1
  P  P188  1  0.404220  0.500389  0.337599  1
  P  P189  1  0.090641  0.040787  0.354264  1
  P  P190  1  0.643208  0.083653  0.333236  1
  P  P191  1  0.143208  0.583653  0.333236  1
  P  P192  1  0.590641  0.540787  0.354264  1
  P  P193  1  0.761294  0.134452  0.388072  1
  P  P194  1  0.212539  0.087535  0.409290  1
  P  P195  1  0.712539  0.587535  0.409290  1
  P  P196  1  0.261294  0.634452  0.388072  1
  P  P197  1  0.024630  0.709850  0.390118  1
  P  P198  1  0.575409  0.756043  0.367079  1
  P  P199  1  0.075409  0.256043  0.367079  1
  P  P200  1  0.524630  0.209850  0.390118  1
  P  P201  1  0.802877  0.900851  0.378722  1
  P  P202  1  0.248388  0.858283  0.401417  1
  P  P203  1  0.748388  0.358283  0.401417  1
  P  P204  1  0.302877  0.400851  0.378722  1
  P  P205  1  0.991505  0.937898  0.398761  1
  P  P206  1  0.536881  0.990415  0.375198  1
  P  P207  1  0.036881  0.490415  0.375198  1
  P  P208  1  0.491505  0.437898  0.398761  1
  P  P209  1  0.666908  0.040581  0.432523  1
  P  P210  1  0.118600  0.994257  0.454771  1
  P  P211  1  0.618600  0.494257  0.454771  1
  P  P212  1  0.166908  0.540581  0.432523  1
  P  P213  1  0.932743  0.612971  0.434187  1
  P  P214  1  0.480188  0.660565  0.412882  1
  P  P215  1  0.980188  0.160565  0.412882  1
  P  P216  1  0.432743  0.112971  0.434187  1
  P  P217  1  0.702511  0.809081  0.424498  1
  P  P218  1  0.156064  0.761759  0.446306  1
  P  P219  1  0.656064  0.261759  0.446306  1
  P  P220  1  0.202511  0.309081  0.424498  1
  P  P221  1  0.892956  0.847189  0.442613  1
  P  P222  1  0.442707  0.892761  0.421549  1
  P  P223  1  0.942707  0.392761  0.421549  1
  P  P224  1  0.392956  0.347189  0.442613  1
  P  P225  1  0.570591  0.947420  0.475993  1
  P  P226  1  0.022803  0.901520  0.498029  1
  P  P227  1  0.522803  0.401520  0.498029  1
  P  P228  1  0.070591  0.447420  0.475993  1
  P  P229  1  0.835198  0.522181  0.477833  1
  P  P230  1  0.383009  0.567982  0.456114  1
  P  P231  1  0.883009  0.067982  0.456114  1
  P  P232  1  0.335198  0.022181  0.477833  1
  P  P233  1  0.607481  0.715876  0.467461  1
  P  P234  1  0.059706  0.669684  0.489380  1
  P  P235  1  0.559706  0.169684  0.489380  1
  P  P236  1  0.107481  0.215876  0.467461  1
  P  P237  1  0.798518  0.753568  0.486201  1
  P  P238  1  0.345282  0.800503  0.464475  1
  P  P239  1  0.845282  0.300503  0.464475  1
  P  P240  1  0.298518  0.253568  0.486201  1
  P  P241  1  0.475492  0.854999  0.519742  1
  P  P242  1  0.927681  0.809198  0.541461  1
  P  P243  1  0.427681  0.309198  0.541461  1
  P  P244  1  0.975492  0.354999  0.519742  1
  P  P245  1  0.740099  0.429760  0.521582  1
  P  P246  1  0.287887  0.475660  0.499546  1
  P  P247  1  0.787887  0.975660  0.499546  1
  P  P248  1  0.240099  0.929760  0.521582  1
  P  P249  1  0.512171  0.623612  0.511375  1
  P  P250  1  0.965408  0.576677  0.533100  1
  P  P251  1  0.465408  0.076677  0.533100  1
  P  P252  1  0.012171  0.123612  0.511375  1
  P  P253  1  0.703209  0.661304  0.530114  1
  P  P254  1  0.250984  0.707496  0.508195  1
  P  P255  1  0.750984  0.207496  0.508195  1
  P  P256  1  0.203209  0.161304  0.530114  1
  P  P257  1  0.377947  0.764209  0.563388  1
  P  P258  1  0.830502  0.716615  0.584693  1
  P  P259  1  0.330502  0.216615  0.584693  1
  P  P260  1  0.877947  0.264209  0.563388  1
  P  P261  1  0.643782  0.336599  0.565053  1
  P  P262  1  0.192090  0.382923  0.542804  1
  P  P263  1  0.692090  0.882923  0.542804  1
  P  P264  1  0.143782  0.836599  0.565053  1
  P  P265  1  0.417734  0.529991  0.554962  1
  P  P266  1  0.867983  0.484419  0.576026  1
  P  P267  1  0.367983  0.984419  0.576026  1
  P  P268  1  0.917734  0.029991  0.554962  1
  P  P269  1  0.608179  0.568099  0.573077  1
  P  P270  1  0.154626  0.615421  0.551269  1
  P  P271  1  0.654626  0.115421  0.551269  1
  P  P272  1  0.108179  0.068099  0.573077  1
  P  P273  1  0.286060  0.667330  0.607457  1
  P  P274  1  0.735281  0.621137  0.630497  1
  P  P275  1  0.235281  0.121137  0.630497  1
  P  P276  1  0.786060  0.167330  0.607457  1
  P  P277  1  0.549396  0.242728  0.609504  1
  P  P278  1  0.098151  0.289645  0.588286  1
  P  P279  1  0.598151  0.789645  0.588286  1
  P  P280  1  0.049396  0.742728  0.609504  1
  P  P281  1  0.319185  0.439282  0.598814  1
  P  P282  1  0.773809  0.386765  0.622377  1
  P  P283  1  0.273809  0.886765  0.622377  1
  P  P284  1  0.819185  0.939282  0.598814  1
  P  P285  1  0.507813  0.476329  0.618853  1
  P  P286  1  0.062302  0.518897  0.596158  1
  P  P287  1  0.562302  0.018897  0.596158  1
  P  P288  1  0.007813  0.976329  0.618853  1
  P  P289  1  0.174341  0.571725  0.649690  1
  P  P290  1  0.622446  0.527762  0.670903  1
  P  P291  1  0.122446  0.027762  0.670903  1
  P  P292  1  0.674341  0.071725  0.649690  1
  P  P293  1  0.436917  0.146715  0.652532  1
  P  P294  1  0.991584  0.196495  0.630001  1
  P  P295  1  0.491584  0.696495  0.630001  1
  P  P296  1  0.936917  0.646715  0.652532  1
  P  P297  1  0.220049  0.336393  0.643311  1
  P  P298  1  0.667482  0.293527  0.664339  1
  P  P299  1  0.167482  0.793527  0.664339  1
  P  P300  1  0.720049  0.836393  0.643311  1
  P  P301  1  0.406470  0.376792  0.659977  1
  P  P302  1  0.951298  0.430187  0.639191  1
  P  P303  1  0.451298  0.930187  0.639191  1
  P  P304  1  0.906470  0.876792  0.659977  1
  P  P305  1  0.086407  0.475928  0.698286  1
  P  P306  1  0.534124  0.422995  0.720646  1
  P  P307  1  0.034124  0.922995  0.720646  1
  P  P308  1  0.586407  0.975928  0.698286  1
  P  P309  1  0.349752  0.047497  0.703529  1
  P  P310  1  0.893348  0.097990  0.681270  1
  P  P311  1  0.393348  0.597990  0.681270  1
  P  P312  1  0.849752  0.547497  0.703529  1
  P  P313  1  0.114549  0.248216  0.693131  1
  P  P314  1  0.584812  0.191207  0.712734  1
  P  P315  1  0.084812  0.691207  0.712734  1
  P  P316  1  0.614549  0.748216  0.693131  1
  P  P317  1  0.309053  0.288253  0.710136  1
  P  P318  1  0.857605  0.326316  0.688810  1
  P  P319  1  0.357605  0.826316  0.688810  1
  P  P320  1  0.809053  0.788253  0.710136  1
