# generated using pymatgen
data_Fe2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.36923186
_cell_length_b   12.30925139
_cell_length_c   46.84523033
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   66.41870267
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2P
_chemical_formula_sum   'Fe216 P108'
_cell_volume   8122.29029019
_cell_formula_units_Z   108
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  0.378788  0.955108  0.324716  1
  Fe  Fe2  1  0.957617  0.891572  0.301900  1
  Fe  Fe3  1  0.378788  0.455108  0.324716  1
  Fe  Fe4  1  0.957617  0.391572  0.301900  1
  Fe  Fe5  1  0.317480  0.717826  0.310273  1
  Fe  Fe6  1  0.894797  0.706802  0.286731  1
  Fe  Fe7  1  0.317480  0.217826  0.310273  1
  Fe  Fe8  1  0.894797  0.206802  0.286731  1
  Fe  Fe9  1  0.639118  0.621447  0.307537  1
  Fe  Fe10  1  0.220222  0.569466  0.285635  1
  Fe  Fe11  1  0.639118  0.121447  0.307537  1
  Fe  Fe12  1  0.220222  0.069466  0.285635  1
  Fe  Fe13  1  0.709251  0.749856  0.280524  1
  Fe  Fe14  1  0.137989  0.785052  0.305311  1
  Fe  Fe15  1  0.709251  0.249856  0.280524  1
  Fe  Fe16  1  0.137989  0.285052  0.305311  1
  Fe  Fe17  1  0.062664  0.516137  0.285250  1
  Fe  Fe18  1  0.483151  0.563125  0.310427  1
  Fe  Fe19  1  0.062664  0.016137  0.285250  1
  Fe  Fe20  1  0.483151  0.063125  0.310427  1
  Fe  Fe21  1  0.210771  0.942172  0.324360  1
  Fe  Fe22  1  0.779318  0.904190  0.300226  1
  Fe  Fe23  1  0.210771  0.442172  0.324360  1
  Fe  Fe24  1  0.779318  0.404190  0.300226  1
  Fe  Fe25  1  0.242901  0.004394  0.376620  1
  Fe  Fe26  1  0.802945  0.995293  0.347218  1
  Fe  Fe27  1  0.242901  0.504394  0.376620  1
  Fe  Fe28  1  0.802945  0.495293  0.347218  1
  Fe  Fe29  1  0.181550  0.806438  0.360413  1
  Fe  Fe30  1  0.743590  0.755669  0.331610  1
  Fe  Fe31  1  0.181550  0.306438  0.360413  1
  Fe  Fe32  1  0.743590  0.255669  0.331610  1
  Fe  Fe33  1  0.483766  0.693161  0.350443  1
  Fe  Fe34  1  0.058719  0.651616  0.326250  1
  Fe  Fe35  1  0.483766  0.193161  0.350443  1
  Fe  Fe36  1  0.058719  0.151616  0.326250  1
  Fe  Fe37  1  0.566898  0.825272  0.327439  1
  Fe  Fe38  1  0.993962  0.854519  0.354744  1
  Fe  Fe39  1  0.566898  0.325272  0.327439  1
  Fe  Fe40  1  0.993962  0.354519  0.354744  1
  Fe  Fe41  1  0.916308  0.590512  0.333576  1
  Fe  Fe42  1  0.347783  0.628473  0.359304  1
  Fe  Fe43  1  0.916308  0.090512  0.333576  1
  Fe  Fe44  1  0.347783  0.128473  0.359304  1
  Fe  Fe45  1  0.068963  0.015156  0.374933  1
  Fe  Fe46  1  0.641541  0.979001  0.345987  1
  Fe  Fe47  1  0.068963  0.515156  0.374933  1
  Fe  Fe48  1  0.641541  0.479001  0.345987  1
  Fe  Fe49  1  0.091688  0.100494  0.423905  1
  Fe  Fe50  1  0.670933  0.041431  0.400500  1
  Fe  Fe51  1  0.091688  0.600494  0.423905  1
  Fe  Fe52  1  0.670933  0.541431  0.400500  1
  Fe  Fe53  1  0.030648  0.859799  0.407927  1
  Fe  Fe54  1  0.610599  0.840955  0.384373  1
  Fe  Fe55  1  0.030648  0.359799  0.407927  1
  Fe  Fe56  1  0.610599  0.340955  0.384373  1
  Fe  Fe57  1  0.343995  0.760201  0.401828  1
  Fe  Fe58  1  0.929965  0.715412  0.381993  1
  Fe  Fe59  1  0.343995  0.260201  0.401828  1
  Fe  Fe60  1  0.929965  0.215412  0.381993  1
  Fe  Fe61  1  0.423751  0.891157  0.378997  1
  Fe  Fe62  1  0.851260  0.925971  0.404309  1
  Fe  Fe63  1  0.423751  0.391157  0.378997  1
  Fe  Fe64  1  0.851260  0.425971  0.404309  1
  Fe  Fe65  1  0.774581  0.662581  0.383768  1
  Fe  Fe66  1  0.203898  0.699004  0.409666  1
  Fe  Fe67  1  0.774581  0.162581  0.383768  1
  Fe  Fe68  1  0.203898  0.199004  0.409666  1
  Fe  Fe69  1  0.926887  0.087068  0.424051  1
  Fe  Fe70  1  0.497063  0.054781  0.398871  1
  Fe  Fe71  1  0.926887  0.587068  0.424051  1
  Fe  Fe72  1  0.497063  0.554781  0.398871  1
  Fe  Fe73  1  0.957299  0.147443  0.475745  1
  Fe  Fe74  1  0.528667  0.113744  0.449967  1
  Fe  Fe75  1  0.957299  0.647443  0.475745  1
  Fe  Fe76  1  0.528667  0.613744  0.449967  1
  Fe  Fe77  1  0.896258  0.947801  0.459678  1
  Fe  Fe78  1  0.468575  0.911223  0.434181  1
  Fe  Fe79  1  0.896258  0.447801  0.459678  1
  Fe  Fe80  1  0.468575  0.411223  0.434181  1
  Fe  Fe81  1  0.217502  0.823125  0.456617  1
  Fe  Fe82  1  0.771982  0.795396  0.427027  1
  Fe  Fe83  1  0.217502  0.323125  0.456617  1
  Fe  Fe84  1  0.771982  0.295396  0.427027  1
  Fe  Fe85  1  0.280789  0.961821  0.429352  1
  Fe  Fe86  1  0.709526  0.997169  0.454304  1
  Fe  Fe87  1  0.280789  0.461821  0.429352  1
  Fe  Fe88  1  0.709526  0.497169  0.454304  1
  Fe  Fe89  1  0.632044  0.733759  0.433799  1
  Fe  Fe90  1  0.061515  0.769377  0.459350  1
  Fe  Fe91  1  0.632044  0.233759  0.433799  1
  Fe  Fe92  1  0.061515  0.269377  0.459350  1
  Fe  Fe93  1  0.784189  0.159911  0.473727  1
  Fe  Fe94  1  0.355879  0.124472  0.448844  1
  Fe  Fe95  1  0.784189  0.659911  0.473727  1
  Fe  Fe96  1  0.355879  0.624472  0.448844  1
  Fe  Fe97  1  0.814569  0.220095  0.525255  1
  Fe  Fe98  1  0.378788  0.206255  0.498596  1
  Fe  Fe99  1  0.814569  0.720095  0.525255  1
  Fe  Fe100  1  0.378788  0.706255  0.498596  1
  Fe  Fe101  1  0.754225  0.017244  0.509329  1
  Fe  Fe102  1  0.321547  0.967528  0.483601  1
  Fe  Fe103  1  0.754225  0.517244  0.509329  1
  Fe  Fe104  1  0.321547  0.467528  0.483601  1
  Fe  Fe105  1  0.058753  0.902185  0.502290  1
  Fe  Fe106  1  0.629812  0.867244  0.477038  1
  Fe  Fe107  1  0.058753  0.402185  0.502290  1
  Fe  Fe108  1  0.629812  0.367244  0.477038  1
  Fe  Fe109  1  0.138404  0.032843  0.479341  1
  Fe  Fe110  1  0.567471  0.068147  0.503968  1
  Fe  Fe111  1  0.138404  0.532843  0.479341  1
  Fe  Fe112  1  0.567471  0.568147  0.503968  1
  Fe  Fe113  1  0.490281  0.805257  0.483706  1
  Fe  Fe114  1  0.918512  0.839579  0.509081  1
  Fe  Fe115  1  0.490281  0.305257  0.483706  1
  Fe  Fe116  1  0.918512  0.339579  0.509081  1
  Fe  Fe117  1  0.642071  0.231091  0.523539  1
  Fe  Fe118  1  0.213535  0.195272  0.499018  1
  Fe  Fe119  1  0.642071  0.731091  0.523539  1
  Fe  Fe120  1  0.213535  0.695272  0.499018  1
  Fe  Fe121  1  0.672555  0.289718  0.575194  1
  Fe  Fe122  1  0.244037  0.254855  0.550761  1
  Fe  Fe123  1  0.672555  0.789718  0.575194  1
  Fe  Fe124  1  0.244037  0.754855  0.550761  1
  Fe  Fe125  1  0.612367  0.089500  0.559304  1
  Fe  Fe126  1  0.182732  0.054870  0.534715  1
  Fe  Fe127  1  0.612367  0.589500  0.559304  1
  Fe  Fe128  1  0.182732  0.554870  0.534715  1
  Fe  Fe129  1  0.917707  0.973150  0.552500  1
  Fe  Fe130  1  0.490602  0.933113  0.527197  1
  Fe  Fe131  1  0.917707  0.473150  0.552500  1
  Fe  Fe132  1  0.490602  0.433113  0.527197  1
  Fe  Fe133  1  0.996441  0.103995  0.529457  1
  Fe  Fe134  1  0.424869  0.140164  0.553821  1
  Fe  Fe135  1  0.996441  0.603995  0.529457  1
  Fe  Fe136  1  0.424869  0.640164  0.553821  1
  Fe  Fe137  1  0.347581  0.876585  0.534089  1
  Fe  Fe138  1  0.776378  0.910653  0.558877  1
  Fe  Fe139  1  0.347581  0.376585  0.534089  1
  Fe  Fe140  1  0.776378  0.410653  0.558877  1
  Fe  Fe141  1  0.500570  0.300945  0.573709  1
  Fe  Fe142  1  0.070763  0.266927  0.549124  1
  Fe  Fe143  1  0.500570  0.800945  0.573709  1
  Fe  Fe144  1  0.070763  0.766927  0.549124  1
  Fe  Fe145  1  0.522698  0.386028  0.623160  1
  Fe  Fe146  1  0.101254  0.326442  0.600357  1
  Fe  Fe147  1  0.522698  0.886028  0.623160  1
  Fe  Fe148  1  0.101254  0.826442  0.600357  1
  Fe  Fe149  1  0.461368  0.144340  0.606700  1
  Fe  Fe150  1  0.040650  0.124466  0.584420  1
  Fe  Fe151  1  0.461368  0.644340  0.606700  1
  Fe  Fe152  1  0.040650  0.624466  0.584420  1
  Fe  Fe153  1  0.774553  0.043533  0.601560  1
  Fe  Fe154  1  0.353857  0.009420  0.578750  1
  Fe  Fe155  1  0.774553  0.543533  0.601560  1
  Fe  Fe156  1  0.353857  0.509420  0.578750  1
  Fe  Fe157  1  0.854262  0.174816  0.579211  1
  Fe  Fe158  1  0.282270  0.212568  0.603784  1
  Fe  Fe159  1  0.854262  0.674816  0.579211  1
  Fe  Fe160  1  0.282270  0.712568  0.603784  1
  Fe  Fe161  1  0.205225  0.947004  0.583967  1
  Fe  Fe162  1  0.634898  0.982136  0.608133  1
  Fe  Fe163  1  0.205225  0.447004  0.583967  1
  Fe  Fe164  1  0.634898  0.482136  0.608133  1
  Fe  Fe165  1  0.358760  0.372737  0.624089  1
  Fe  Fe166  1  0.929366  0.337059  0.599009  1
  Fe  Fe167  1  0.358760  0.872737  0.624089  1
  Fe  Fe168  1  0.929366  0.837059  0.599009  1
  Fe  Fe169  1  0.390205  0.432307  0.676306  1
  Fe  Fe170  1  0.959810  0.392709  0.651209  1
  Fe  Fe171  1  0.390205  0.932307  0.676306  1
  Fe  Fe172  1  0.959810  0.892709  0.651209  1
  Fe  Fe173  1  0.329971  0.234491  0.660680  1
  Fe  Fe174  1  0.898286  0.199272  0.635204  1
  Fe  Fe175  1  0.329971  0.734491  0.660680  1
  Fe  Fe176  1  0.898286  0.699272  0.635204  1
  Fe  Fe177  1  0.647573  0.108255  0.656987  1
  Fe  Fe178  1  0.202668  0.080270  0.626226  1
  Fe  Fe179  1  0.647573  0.608255  0.656987  1
  Fe  Fe180  1  0.202668  0.580270  0.626226  1
  Fe  Fe181  1  0.710893  0.246489  0.628857  1
  Fe  Fe182  1  0.139516  0.285782  0.653574  1
  Fe  Fe183  1  0.710893  0.746489  0.628857  1
  Fe  Fe184  1  0.139516  0.785782  0.653574  1
  Fe  Fe185  1  0.062643  0.018520  0.633615  1
  Fe  Fe186  1  0.490908  0.050789  0.660673  1
  Fe  Fe187  1  0.062643  0.518520  0.633615  1
  Fe  Fe188  1  0.490908  0.550789  0.660673  1
  Fe  Fe189  1  0.218765  0.441684  0.674184  1
  Fe  Fe190  1  0.787452  0.405930  0.649635  1
  Fe  Fe191  1  0.218765  0.941684  0.674184  1
  Fe  Fe192  1  0.787452  0.905930  0.649635  1
  Fe  Fe193  1  0.229975  0.549535  0.720104  1
  Fe  Fe194  1  0.810573  0.497000  0.696508  1
  Fe  Fe195  1  0.229975  0.049535  0.720104  1
  Fe  Fe196  1  0.810573  0.997000  0.696508  1
  Fe  Fe197  1  0.181722  0.283774  0.706105  1
  Fe  Fe198  1  0.748989  0.247936  0.681170  1
  Fe  Fe199  1  0.181722  0.783774  0.706105  1
  Fe  Fe200  1  0.748989  0.747936  0.681170  1
  Fe  Fe201  1  0.491684  0.184104  0.699354  1
  Fe  Fe202  1  0.071206  0.153657  0.678850  1
  Fe  Fe203  1  0.491684  0.684104  0.699354  1
  Fe  Fe204  1  0.071206  0.653657  0.678850  1
  Fe  Fe205  1  0.569080  0.318573  0.677663  1
  Fe  Fe206  1  0.002776  0.355336  0.704902  1
  Fe  Fe207  1  0.569080  0.818573  0.677663  1
  Fe  Fe208  1  0.002776  0.855336  0.704902  1
  Fe  Fe209  1  0.922364  0.086605  0.684679  1
  Fe  Fe210  1  0.353477  0.125578  0.707384  1
  Fe  Fe211  1  0.922364  0.586605  0.684679  1
  Fe  Fe212  1  0.353477  0.625578  0.707384  1
  Fe  Fe213  1  0.077983  0.517780  0.722354  1
  Fe  Fe214  1  0.649041  0.474517  0.697932  1
  Fe  Fe215  1  0.077983  0.017780  0.722354  1
  Fe  Fe216  1  0.649041  0.974517  0.697932  1
  P  P217  1  0.467961  0.759436  0.299331  1
  P  P218  1  0.053942  0.710511  0.275245  1
  P  P219  1  0.467961  0.259436  0.299331  1
  P  P220  1  0.053942  0.210511  0.275245  1
  P  P221  1  0.812564  0.572018  0.299153  1
  P  P222  1  0.378359  0.545904  0.276936  1
  P  P223  1  0.812564  0.072018  0.299153  1
  P  P224  1  0.378359  0.045904  0.276936  1
  P  P225  1  0.626524  0.935869  0.294673  1
  P  P226  1  0.226047  0.869706  0.276092  1
  P  P227  1  0.626524  0.435869  0.294673  1
  P  P228  1  0.226047  0.369706  0.276092  1
  P  P229  1  0.328566  0.824951  0.353107  1
  P  P230  1  0.900167  0.782292  0.331213  1
  P  P231  1  0.328566  0.324951  0.353107  1
  P  P232  1  0.900167  0.282292  0.331213  1
  P  P233  1  0.657775  0.655964  0.354694  1
  P  P234  1  0.229745  0.619107  0.331612  1
  P  P235  1  0.657775  0.155964  0.354694  1
  P  P236  1  0.229745  0.119107  0.331612  1
  P  P237  1  0.497250  0.987119  0.354389  1
  P  P238  1  0.065492  0.951916  0.329945  1
  P  P239  1  0.497250  0.487119  0.354389  1
  P  P240  1  0.065492  0.451916  0.329945  1
  P  P241  1  0.182771  0.892671  0.405288  1
  P  P242  1  0.757440  0.856454  0.378081  1
  P  P243  1  0.182771  0.392671  0.405288  1
  P  P244  1  0.757440  0.356454  0.378081  1
  P  P245  1  0.517952  0.725887  0.403239  1
  P  P246  1  0.090976  0.687717  0.378667  1
  P  P247  1  0.517952  0.225887  0.403239  1
  P  P248  1  0.090976  0.187717  0.378667  1
  P  P249  1  0.351293  0.059484  0.404133  1
  P  P250  1  0.921033  0.023790  0.378883  1
  P  P251  1  0.351293  0.559484  0.404133  1
  P  P252  1  0.921033  0.523790  0.378883  1
  P  P253  1  0.044766  0.961953  0.453424  1
  P  P254  1  0.613193  0.928549  0.428669  1
  P  P255  1  0.044766  0.461953  0.453424  1
  P  P256  1  0.613193  0.428549  0.428669  1
  P  P257  1  0.378423  0.796686  0.452953  1
  P  P258  1  0.943276  0.762747  0.430433  1
  P  P259  1  0.378423  0.296686  0.452953  1
  P  P260  1  0.943276  0.262747  0.430433  1
  P  P261  1  0.209429  0.129711  0.454388  1
  P  P262  1  0.779681  0.094847  0.428939  1
  P  P263  1  0.209429  0.629711  0.454388  1
  P  P264  1  0.779681  0.594847  0.428939  1
  P  P265  1  0.900066  0.034223  0.504051  1
  P  P266  1  0.468156  0.002757  0.479118  1
  P  P267  1  0.900066  0.534223  0.504051  1
  P  P268  1  0.468156  0.502757  0.479118  1
  P  P269  1  0.230365  0.869995  0.505115  1
  P  P270  1  0.803589  0.832370  0.479066  1
  P  P271  1  0.230365  0.369995  0.505115  1
  P  P272  1  0.803589  0.332370  0.479066  1
  P  P273  1  0.066698  0.201572  0.504246  1
  P  P274  1  0.637701  0.165991  0.478870  1
  P  P275  1  0.066698  0.701572  0.504246  1
  P  P276  1  0.637701  0.665991  0.478870  1
  P  P277  1  0.757522  0.105895  0.553897  1
  P  P278  1  0.329578  0.070804  0.528447  1
  P  P279  1  0.757522  0.605895  0.553897  1
  P  P280  1  0.329578  0.570804  0.528447  1
  P  P281  1  0.090399  0.939259  0.554107  1
  P  P282  1  0.662295  0.903482  0.528704  1
  P  P283  1  0.090399  0.439259  0.554107  1
  P  P284  1  0.662295  0.403482  0.528704  1
  P  P285  1  0.924211  0.272757  0.554133  1
  P  P286  1  0.495661  0.235869  0.528851  1
  P  P287  1  0.924211  0.772757  0.554133  1
  P  P288  1  0.495661  0.735869  0.528851  1
  P  P289  1  0.613056  0.176295  0.604998  1
  P  P290  1  0.187501  0.140477  0.579130  1
  P  P291  1  0.613056  0.676295  0.604998  1
  P  P292  1  0.187501  0.640477  0.579130  1
  P  P293  1  0.948617  0.010163  0.604065  1
  P  P294  1  0.521660  0.972862  0.577717  1
  P  P295  1  0.948617  0.510163  0.604065  1
  P  P296  1  0.521660  0.472862  0.577717  1
  P  P297  1  0.782475  0.343482  0.604090  1
  P  P298  1  0.353492  0.310471  0.579029  1
  P  P299  1  0.782475  0.843482  0.604090  1
  P  P300  1  0.353492  0.810471  0.579029  1
  P  P301  1  0.474633  0.245933  0.652588  1
  P  P302  1  0.042370  0.212430  0.630043  1
  P  P303  1  0.474633  0.745933  0.652588  1
  P  P304  1  0.042370  0.712430  0.630043  1
  P  P305  1  0.808047  0.079152  0.652119  1
  P  P306  1  0.375164  0.047955  0.629124  1
  P  P307  1  0.808047  0.579152  0.652119  1
  P  P308  1  0.375164  0.547955  0.629124  1
  P  P309  1  0.637477  0.417710  0.653131  1
  P  P310  1  0.211883  0.380587  0.629072  1
  P  P311  1  0.637477  0.917710  0.653131  1
  P  P312  1  0.211883  0.880587  0.629072  1
  P  P313  1  0.328404  0.328003  0.709503  1
  P  P314  1  0.896541  0.282295  0.684372  1
  P  P315  1  0.328404  0.828003  0.709503  1
  P  P316  1  0.896541  0.782295  0.684372  1
  P  P317  1  0.654314  0.161949  0.708284  1
  P  P318  1  0.233731  0.119769  0.676306  1
  P  P319  1  0.654314  0.661949  0.708284  1
  P  P320  1  0.233731  0.619769  0.676306  1
  P  P321  1  0.497292  0.479305  0.710492  1
  P  P322  1  0.067638  0.454545  0.678601  1
  P  P323  1  0.497292  0.979305  0.710492  1
  P  P324  1  0.067638  0.954545  0.678601  1
