# generated using pymatgen
data_Fe3P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.18774001
_cell_length_b   12.69966084
_cell_length_c   47.83528229
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe3P
_chemical_formula_sum   'Fe168 P56'
_cell_volume   5581.477281
_cell_formula_units_Z   56
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  0.963908  0.375730  0.283804  1
  Fe  Fe2  1  0.861618  0.587247  0.294255  1
  Fe  Fe3  1  0.146981  0.556139  0.303366  1
  Fe  Fe4  1  0.043085  0.757079  0.313023  1
  Fe  Fe5  1  0.284892  0.836349  0.326943  1
  Fe  Fe6  1  0.170504  0.362196  0.317611  1
  Fe  Fe7  1  0.837444  0.891038  0.309429  1
  Fe  Fe8  1  0.721415  0.426722  0.304087  1
  Fe  Fe9  1  0.602819  0.585088  0.324574  1
  Fe  Fe10  1  0.926408  0.083510  0.330134  1
  Fe  Fe11  1  0.076901  0.187217  0.301362  1
  Fe  Fe12  1  0.396101  0.663510  0.303661  1
  Fe  Fe13  1  0.461053  0.993449  0.317592  1
  Fe  Fe14  1  0.362152  0.206453  0.326475  1
  Fe  Fe15  1  0.653055  0.936400  0.271712  1
  Fe  Fe16  1  0.545466  0.130152  0.280402  1
  Fe  Fe17  1  0.799722  0.221110  0.293428  1
  Fe  Fe18  1  0.657354  0.742926  0.286918  1
  Fe  Fe19  1  0.315056  0.272834  0.279175  1
  Fe  Fe20  1  0.214559  0.798364  0.273038  1
  Fe  Fe21  1  0.088595  0.959770  0.292019  1
  Fe  Fe22  1  0.426027  0.465978  0.296589  1
  Fe  Fe23  1  0.611966  0.563655  0.271246  1
  Fe  Fe24  1  0.879154  0.054247  0.272841  1
  Fe  Fe25  1  0.964385  0.615618  0.350605  1
  Fe  Fe26  1  0.861393  0.829536  0.360836  1
  Fe  Fe27  1  0.142875  0.790823  0.370814  1
  Fe  Fe28  1  0.038817  1.000220  0.379797  1
  Fe  Fe29  1  0.283990  0.075558  0.393815  1
  Fe  Fe30  1  0.166423  0.599133  0.386191  1
  Fe  Fe31  1  0.836980  0.134513  0.377528  1
  Fe  Fe32  1  0.719221  0.664793  0.371179  1
  Fe  Fe33  1  0.602064  0.823649  0.390942  1
  Fe  Fe34  1  0.924607  0.319800  0.396571  1
  Fe  Fe35  1  0.080169  0.424595  0.369894  1
  Fe  Fe36  1  0.401273  0.904188  0.369954  1
  Fe  Fe37  1  0.464766  0.235267  0.383371  1
  Fe  Fe38  1  0.362085  0.448515  0.393836  1
  Fe  Fe39  1  0.639337  0.175774  0.336741  1
  Fe  Fe40  1  0.539206  0.379356  0.345189  1
  Fe  Fe41  1  0.783183  0.456673  0.360564  1
  Fe  Fe42  1  0.663302  0.979354  0.352796  1
  Fe  Fe43  1  0.337831  0.512201  0.343527  1
  Fe  Fe44  1  0.218419  0.045212  0.336618  1
  Fe  Fe45  1  0.103676  0.203548  0.357024  1
  Fe  Fe46  1  0.425101  0.701487  0.363077  1
  Fe  Fe47  1  0.576133  0.805937  0.335690  1
  Fe  Fe48  1  0.902113  0.286747  0.337064  1
  Fe  Fe49  1  0.964547  0.853531  0.417012  1
  Fe  Fe50  1  0.861873  0.067851  0.427271  1
  Fe  Fe51  1  0.141894  0.028714  0.437167  1
  Fe  Fe52  1  0.039505  0.237990  0.446087  1
  Fe  Fe53  1  0.284446  0.313645  0.460444  1
  Fe  Fe54  1  0.166894  0.838027  0.452329  1
  Fe  Fe55  1  0.837240  0.371362  0.443627  1
  Fe  Fe56  1  0.719691  0.903075  0.437733  1
  Fe  Fe57  1  0.602374  0.061680  0.457674  1
  Fe  Fe58  1  0.924684  0.558182  0.463304  1
  Fe  Fe59  1  0.079288  0.663630  0.436533  1
  Fe  Fe60  1  0.401289  0.142789  0.436992  1
  Fe  Fe61  1  0.464618  0.472466  0.450254  1
  Fe  Fe62  1  0.361975  0.686866  0.460608  1
  Fe  Fe63  1  0.641702  0.409641  0.403768  1
  Fe  Fe64  1  0.539687  0.618927  0.412869  1
  Fe  Fe65  1  0.784108  0.694670  0.427202  1
  Fe  Fe66  1  0.666746  0.219146  0.418923  1
  Fe  Fe67  1  0.337835  0.752728  0.410546  1
  Fe  Fe68  1  0.219798  0.284036  0.404313  1
  Fe  Fe69  1  0.102807  0.442505  0.424316  1
  Fe  Fe70  1  0.424361  0.939216  0.429854  1
  Fe  Fe71  1  0.578512  0.044943  0.403175  1
  Fe  Fe72  1  0.900925  0.523225  0.403828  1
  Fe  Fe73  1  0.964483  0.091675  0.483486  1
  Fe  Fe74  1  0.861675  0.306207  0.493830  1
  Fe  Fe75  1  0.142143  0.266944  0.503799  1
  Fe  Fe76  1  0.039392  0.476174  0.512845  1
  Fe  Fe77  1  0.284344  0.551611  0.527161  1
  Fe  Fe78  1  0.166590  0.076008  0.518926  1
  Fe  Fe79  1  0.837229  0.609636  0.510444  1
  Fe  Fe80  1  0.719577  0.141220  0.504340  1
  Fe  Fe81  1  0.602319  0.299698  0.524320  1
  Fe  Fe82  1  0.924500  0.796202  0.529878  1
  Fe  Fe83  1  0.079128  0.901599  0.503002  1
  Fe  Fe84  1  0.401191  0.380573  0.503675  1
  Fe  Fe85  1  0.464743  0.710575  0.516894  1
  Fe  Fe86  1  0.361825  0.924875  0.527134  1
  Fe  Fe87  1  0.642029  0.647774  0.470520  1
  Fe  Fe88  1  0.539410  0.857080  0.479469  1
  Fe  Fe89  1  0.784263  0.932713  0.493720  1
  Fe  Fe90  1  0.666638  0.456883  0.485691  1
  Fe  Fe91  1  0.337264  0.990636  0.476998  1
  Fe  Fe92  1  0.219787  0.521968  0.471127  1
  Fe  Fe93  1  0.102521  0.680574  0.491065  1
  Fe  Fe94  1  0.424533  0.177603  0.496545  1
  Fe  Fe95  1  0.579124  0.282691  0.469667  1
  Fe  Fe96  1  0.901300  0.761510  0.470400  1
  Fe  Fe97  1  0.964575  0.329828  0.550235  1
  Fe  Fe98  1  0.861432  0.544401  0.560584  1
  Fe  Fe99  1  0.141666  0.504859  0.570541  1
  Fe  Fe100  1  0.039168  0.714150  0.579504  1
  Fe  Fe101  1  0.285257  0.789883  0.593747  1
  Fe  Fe102  1  0.166806  0.314276  0.585787  1
  Fe  Fe103  1  0.837069  0.847471  0.576991  1
  Fe  Fe104  1  0.719282  0.379334  0.571009  1
  Fe  Fe105  1  0.602844  0.537814  0.591234  1
  Fe  Fe106  1  0.923902  0.034313  0.596029  1
  Fe  Fe107  1  0.079442  0.140153  0.569567  1
  Fe  Fe108  1  0.401742  0.618537  0.570330  1
  Fe  Fe109  1  0.464835  0.948572  0.583525  1
  Fe  Fe110  1  0.362083  0.163351  0.593935  1
  Fe  Fe111  1  0.642067  0.885751  0.537057  1
  Fe  Fe112  1  0.539227  0.095201  0.546104  1
  Fe  Fe113  1  0.784016  0.170813  0.560271  1
  Fe  Fe114  1  0.666847  0.695014  0.552419  1
  Fe  Fe115  1  0.337117  0.228762  0.543751  1
  Fe  Fe116  1  0.219972  0.759915  0.537698  1
  Fe  Fe117  1  0.102584  0.918782  0.557478  1
  Fe  Fe118  1  0.424406  0.415222  0.563285  1
  Fe  Fe119  1  0.579058  0.520740  0.536458  1
  Fe  Fe120  1  0.901404  0.999856  0.536832  1
  Fe  Fe121  1  0.963746  0.567936  0.616853  1
  Fe  Fe122  1  0.861605  0.781012  0.627179  1
  Fe  Fe123  1  0.141872  0.743123  0.636822  1
  Fe  Fe124  1  0.039249  0.951865  0.645622  1
  Fe  Fe125  1  0.284408  0.028197  0.660144  1
  Fe  Fe126  1  0.166103  0.552838  0.651807  1
  Fe  Fe127  1  0.835783  0.085131  0.643290  1
  Fe  Fe128  1  0.720691  0.616597  0.639170  1
  Fe  Fe129  1  0.603206  0.775005  0.659470  1
  Fe  Fe130  1  0.922781  0.272613  0.662749  1
  Fe  Fe131  1  0.078846  0.378126  0.636442  1
  Fe  Fe132  1  0.404152  0.854957  0.637389  1
  Fe  Fe133  1  0.465729  0.187244  0.650664  1
  Fe  Fe134  1  0.363296  0.399243  0.660657  1
  Fe  Fe135  1  0.641323  0.123669  0.603648  1
  Fe  Fe136  1  0.539186  0.332790  0.612922  1
  Fe  Fe137  1  0.784686  0.409141  0.627665  1
  Fe  Fe138  1  0.666420  0.932875  0.618829  1
  Fe  Fe139  1  0.336978  0.466358  0.610374  1
  Fe  Fe140  1  0.221147  0.997871  0.603998  1
  Fe  Fe141  1  0.102909  0.157363  0.623713  1
  Fe  Fe142  1  0.426059  0.654003  0.629994  1
  Fe  Fe143  1  0.579665  0.758484  0.603231  1
  Fe  Fe144  1  0.900667  0.238413  0.603285  1
  Fe  Fe145  1  0.969354  0.810814  0.683294  1
  Fe  Fe146  1  0.859826  0.022718  0.693451  1
  Fe  Fe147  1  0.141466  0.989618  0.703964  1
  Fe  Fe148  1  0.043421  0.186766  0.711345  1
  Fe  Fe149  1  0.263833  0.270489  0.725589  1
  Fe  Fe150  1  0.176812  0.792902  0.718386  1
  Fe  Fe151  1  0.854070  0.324740  0.708862  1
  Fe  Fe152  1  0.723513  0.857944  0.703687  1
  Fe  Fe153  1  0.603578  0.017610  0.721721  1
  Fe  Fe154  1  0.938592  0.492365  0.728111  1
  Fe  Fe155  1  0.075684  0.618935  0.702606  1
  Fe  Fe156  1  0.389158  0.098057  0.703639  1
  Fe  Fe157  1  0.452056  0.432449  0.716257  1
  Fe  Fe158  1  0.348167  0.637549  0.725725  1
  Fe  Fe159  1  0.643413  0.364705  0.671051  1
  Fe  Fe160  1  0.541958  0.573577  0.678549  1
  Fe  Fe161  1  0.789793  0.645524  0.695201  1
  Fe  Fe162  1  0.671061  0.170902  0.685557  1
  Fe  Fe163  1  0.342474  0.707291  0.676724  1
  Fe  Fe164  1  0.221021  0.235442  0.672597  1
  Fe  Fe165  1  0.101412  0.393679  0.692964  1
  Fe  Fe166  1  0.422067  0.891718  0.698217  1
  Fe  Fe167  1  0.579008  0.995987  0.669800  1
  Fe  Fe168  1  0.897628  0.475364  0.671324  1
  P  P169  1  0.032342  0.671586  0.268604  1
  P  P170  1  0.212980  0.434774  0.269203  1
  P  P171  1  0.795952  0.717993  0.325908  1
  P  P172  1  0.955854  0.461904  0.326940  1
  P  P173  1  0.551186  0.295916  0.301127  1
  P  P174  1  0.708393  0.044709  0.308420  1
  P  P175  1  0.289166  0.087747  0.288276  1
  P  P176  1  0.448791  0.838893  0.290647  1
  P  P177  1  0.048370  0.916664  0.338055  1
  P  P178  1  0.209749  0.663105  0.339877  1
  P  P179  1  0.792752  0.954235  0.392187  1
  P  P180  1  0.953018  0.699206  0.393092  1
  P  P181  1  0.550036  0.536145  0.370576  1
  P  P182  1  0.709744  0.284300  0.371526  1
  P  P183  1  0.293162  0.334328  0.358510  1
  P  P184  1  0.451184  0.080611  0.359648  1
  P  P185  1  0.051426  0.155386  0.403770  1
  P  P186  1  0.210565  0.903339  0.405094  1
  P  P187  1  0.793506  0.192230  0.458873  1
  P  P188  1  0.953183  0.937302  0.459513  1
  P  P189  1  0.550667  0.774608  0.437219  1
  P  P190  1  0.710196  0.522001  0.438607  1
  P  P191  1  0.294032  0.573074  0.425676  1
  P  P192  1  0.453097  0.318359  0.426123  1
  P  P193  1  0.050627  0.393473  0.470561  1
  P  P194  1  0.210060  0.141181  0.471826  1
  P  P195  1  0.793430  0.430295  0.525586  1
  P  P196  1  0.953218  0.175711  0.526049  1
  P  P197  1  0.550461  0.012637  0.503853  1
  P  P198  1  0.710064  0.760143  0.505180  1
  P  P199  1  0.293622  0.811128  0.492224  1
  P  P200  1  0.453267  0.556350  0.492911  1
  P  P201  1  0.050606  0.631601  0.537307  1
  P  P202  1  0.209895  0.379267  0.538562  1
  P  P203  1  0.792787  0.668026  0.592561  1
  P  P204  1  0.952020  0.413971  0.592918  1
  P  P205  1  0.550199  0.250769  0.570570  1
  P  P206  1  0.709914  0.998211  0.571630  1
  P  P207  1  0.293821  0.049321  0.558748  1
  P  P208  1  0.453321  0.794403  0.559478  1
  P  P209  1  0.051234  0.869844  0.603565  1
  P  P210  1  0.210682  0.617478  0.605106  1
  P  P211  1  0.794658  0.905491  0.658307  1
  P  P212  1  0.954118  0.652160  0.659623  1
  P  P213  1  0.551015  0.488147  0.637092  1
  P  P214  1  0.709664  0.236173  0.638224  1
  P  P215  1  0.292850  0.286977  0.626109  1
  P  P216  1  0.453382  0.032007  0.626400  1
  P  P217  1  0.049061  0.107765  0.668707  1
  P  P218  1  0.210821  0.857020  0.671084  1
  P  P219  1  0.788502  0.152468  0.727605  1
  P  P220  1  0.957751  0.893676  0.727224  1
  P  P221  1  0.561363  0.725944  0.707232  1
  P  P222  1  0.700860  0.473400  0.708654  1
  P  P223  1  0.291528  0.526593  0.690905  1
  P  P224  1  0.460722  0.271549  0.693862  1
