# generated using pymatgen
data_Fe3P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.37455999
_cell_length_b   29.05144476
_cell_length_c   52.72066224
_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   'Fe216 P72'
_cell_volume   6700.12598114
_cell_formula_units_Z   72
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  0.007221  0.127225  0.365444  1
  Fe  Fe2  1  0.004711  0.826296  0.309816  1
  Fe  Fe3  1  0.996753  0.524982  0.256382  1
  Fe  Fe4  1  0.497464  0.140187  0.400544  1
  Fe  Fe5  1  0.497140  0.840255  0.345537  1
  Fe  Fe6  1  0.493899  0.539739  0.287745  1
  Fe  Fe7  1  0.495148  0.467702  0.262805  1
  Fe  Fe8  1  0.497479  0.063657  0.372825  1
  Fe  Fe9  1  0.498521  0.763479  0.317426  1
  Fe  Fe10  1  0.007796  0.475636  0.296709  1
  Fe  Fe11  1  0.007161  0.076802  0.407873  1
  Fe  Fe12  1  0.007147  0.776703  0.352739  1
  Fe  Fe13  1  0.743706  0.401616  0.287640  1
  Fe  Fe14  1  0.744842  1.000814  0.398615  1
  Fe  Fe15  1  0.744576  0.700751  0.343024  1
  Fe  Fe16  1  0.758395  0.380579  0.386263  1
  Fe  Fe17  1  0.760315  0.080758  0.330751  1
  Fe  Fe18  1  0.747956  0.778887  0.273676  1
  Fe  Fe19  1  0.768028  0.224109  0.274434  1
  Fe  Fe20  1  0.759151  0.823097  0.387525  1
  Fe  Fe21  1  0.758378  0.523125  0.331615  1
  Fe  Fe22  1  0.744574  0.202910  0.374813  1
  Fe  Fe23  1  0.742379  0.902651  0.318852  1
  Fe  Fe24  1  0.739884  0.603412  0.264827  1
  Fe  Fe25  1  0.270409  0.229460  0.396081  1
  Fe  Fe26  1  0.270850  0.929496  0.340805  1
  Fe  Fe27  1  0.266087  0.629164  0.284949  1
  Fe  Fe28  1  0.239390  0.186382  0.289743  1
  Fe  Fe29  1  0.234234  0.785146  0.402109  1
  Fe  Fe30  1  0.232603  0.485041  0.346876  1
  Fe  Fe31  1  0.233886  0.418463  0.371615  1
  Fe  Fe32  1  0.231180  0.119543  0.315410  1
  Fe  Fe33  1  0.238714  0.820097  0.261028  1
  Fe  Fe34  1  0.274362  0.371521  0.266196  1
  Fe  Fe35  1  0.269915  0.974364  0.377614  1
  Fe  Fe36  1  0.271378  0.674683  0.321326  1
  Fe  Fe37  1  0.504711  0.326296  0.309816  1
  Fe  Fe38  1  0.496753  0.024982  0.256382  1
  Fe  Fe39  1  0.507221  0.627225  0.365444  1
  Fe  Fe40  1  0.997140  0.340255  0.345537  1
  Fe  Fe41  1  0.993899  0.039739  0.287745  1
  Fe  Fe42  1  0.997464  0.640187  0.400544  1
  Fe  Fe43  1  0.998521  0.263479  0.317426  1
  Fe  Fe44  1  0.995148  0.967702  0.262805  1
  Fe  Fe45  1  0.997479  0.563657  0.372825  1
  Fe  Fe46  1  0.507147  0.276703  0.352739  1
  Fe  Fe47  1  0.507796  0.975636  0.296709  1
  Fe  Fe48  1  0.507161  0.576802  0.407873  1
  Fe  Fe49  1  0.244576  0.200751  0.343024  1
  Fe  Fe50  1  0.243706  0.901616  0.287640  1
  Fe  Fe51  1  0.244842  0.500814  0.398615  1
  Fe  Fe52  1  0.247956  0.278887  0.273676  1
  Fe  Fe53  1  0.258395  0.880579  0.386263  1
  Fe  Fe54  1  0.260315  0.580758  0.330751  1
  Fe  Fe55  1  0.259151  0.323097  0.387525  1
  Fe  Fe56  1  0.258378  0.023125  0.331615  1
  Fe  Fe57  1  0.268028  0.724109  0.274434  1
  Fe  Fe58  1  0.242379  0.402651  0.318852  1
  Fe  Fe59  1  0.239884  0.103412  0.264827  1
  Fe  Fe60  1  0.244574  0.702910  0.374813  1
  Fe  Fe61  1  0.770850  0.429496  0.340805  1
  Fe  Fe62  1  0.766087  0.129164  0.284949  1
  Fe  Fe63  1  0.770409  0.729460  0.396081  1
  Fe  Fe64  1  0.734234  0.285146  0.402109  1
  Fe  Fe65  1  0.732603  0.985041  0.346876  1
  Fe  Fe66  1  0.739390  0.686382  0.289743  1
  Fe  Fe67  1  0.738714  0.320097  0.261028  1
  Fe  Fe68  1  0.733886  0.918463  0.371615  1
  Fe  Fe69  1  0.731180  0.619543  0.315410  1
  Fe  Fe70  1  0.771378  0.174683  0.321326  1
  Fe  Fe71  1  0.774362  0.871521  0.266196  1
  Fe  Fe72  1  0.769915  0.474364  0.377614  1
  Fe  Fe73  1  0.007130  0.027004  0.532016  1
  Fe  Fe74  1  0.007136  0.727014  0.476566  1
  Fe  Fe75  1  0.007034  0.427027  0.421098  1
  Fe  Fe76  1  0.497376  0.040173  0.567160  1
  Fe  Fe77  1  0.497388  0.740169  0.511736  1
  Fe  Fe78  1  0.497487  0.440239  0.456255  1
  Fe  Fe79  1  0.497376  0.363564  0.428427  1
  Fe  Fe80  1  0.497487  0.963498  0.539332  1
  Fe  Fe81  1  0.497388  0.663568  0.483851  1
  Fe  Fe82  1  0.007130  0.376733  0.463571  1
  Fe  Fe83  1  0.007034  0.976710  0.574489  1
  Fe  Fe84  1  0.007136  0.676723  0.519021  1
  Fe  Fe85  1  0.744531  0.300731  0.454179  1
  Fe  Fe86  1  0.744538  0.900631  0.565159  1
  Fe  Fe87  1  0.744599  0.600764  0.509605  1
  Fe  Fe88  1  0.758868  0.280567  0.552775  1
  Fe  Fe89  1  0.758969  0.980624  0.497173  1
  Fe  Fe90  1  0.758906  0.680640  0.441641  1
  Fe  Fe91  1  0.758868  0.123170  0.442812  1
  Fe  Fe92  1  0.758906  0.723097  0.553947  1
  Fe  Fe93  1  0.758969  0.423113  0.498414  1
  Fe  Fe94  1  0.744531  0.103006  0.541408  1
  Fe  Fe95  1  0.744599  0.802973  0.485983  1
  Fe  Fe96  1  0.744538  0.503106  0.430428  1
  Fe  Fe97  1  0.270389  0.129547  0.562596  1
  Fe  Fe98  1  0.270213  0.829470  0.507140  1
  Fe  Fe99  1  0.270183  0.529593  0.451559  1
  Fe  Fe100  1  0.233630  0.085151  0.457566  1
  Fe  Fe101  1  0.233792  0.685122  0.568658  1
  Fe  Fe102  1  0.233780  0.385079  0.513141  1
  Fe  Fe103  1  0.233630  0.318586  0.538021  1
  Fe  Fe104  1  0.233780  0.018658  0.482447  1
  Fe  Fe105  1  0.233792  0.718615  0.426929  1
  Fe  Fe106  1  0.270389  0.274190  0.432991  1
  Fe  Fe107  1  0.270183  0.874144  0.544029  1
  Fe  Fe108  1  0.270213  0.574267  0.488448  1
  Fe  Fe109  1  0.507136  0.227014  0.476566  1
  Fe  Fe110  1  0.507034  0.927027  0.421098  1
  Fe  Fe111  1  0.507130  0.527004  0.532016  1
  Fe  Fe112  1  0.997388  0.240169  0.511736  1
  Fe  Fe113  1  0.997487  0.940239  0.456255  1
  Fe  Fe114  1  0.997376  0.540173  0.567160  1
  Fe  Fe115  1  0.997388  0.163568  0.483851  1
  Fe  Fe116  1  0.997376  0.863564  0.428427  1
  Fe  Fe117  1  0.997487  0.463498  0.539332  1
  Fe  Fe118  1  0.507136  0.176723  0.519021  1
  Fe  Fe119  1  0.507130  0.876733  0.463571  1
  Fe  Fe120  1  0.507034  0.476710  0.574489  1
  Fe  Fe121  1  0.244599  0.100764  0.509605  1
  Fe  Fe122  1  0.244531  0.800731  0.454179  1
  Fe  Fe123  1  0.244538  0.400631  0.565159  1
  Fe  Fe124  1  0.258906  0.180640  0.441641  1
  Fe  Fe125  1  0.258868  0.780567  0.552775  1
  Fe  Fe126  1  0.258969  0.480624  0.497173  1
  Fe  Fe127  1  0.258906  0.223097  0.553947  1
  Fe  Fe128  1  0.258969  0.923113  0.498414  1
  Fe  Fe129  1  0.258868  0.623170  0.442812  1
  Fe  Fe130  1  0.244599  0.302973  0.485983  1
  Fe  Fe131  1  0.244538  0.003106  0.430428  1
  Fe  Fe132  1  0.244531  0.603006  0.541408  1
  Fe  Fe133  1  0.770213  0.329470  0.507140  1
  Fe  Fe134  1  0.770183  0.029593  0.451559  1
  Fe  Fe135  1  0.770389  0.629547  0.562596  1
  Fe  Fe136  1  0.733792  0.185122  0.568658  1
  Fe  Fe137  1  0.733780  0.885079  0.513141  1
  Fe  Fe138  1  0.733630  0.585151  0.457566  1
  Fe  Fe139  1  0.733792  0.218615  0.426929  1
  Fe  Fe140  1  0.733630  0.818586  0.538021  1
  Fe  Fe141  1  0.733780  0.518658  0.482447  1
  Fe  Fe142  1  0.770213  0.074267  0.488448  1
  Fe  Fe143  1  0.770389  0.774190  0.432991  1
  Fe  Fe144  1  0.770183  0.374144  0.544029  1
  Fe  Fe145  1  0.007796  0.928101  0.698878  1
  Fe  Fe146  1  0.007147  0.627034  0.642849  1
  Fe  Fe147  1  0.007161  0.326935  0.587714  1
  Fe  Fe148  1  0.495148  0.936035  0.732783  1
  Fe  Fe149  1  0.498521  0.640258  0.678161  1
  Fe  Fe150  1  0.497479  0.340080  0.622762  1
  Fe  Fe151  1  0.497464  0.263550  0.595044  1
  Fe  Fe152  1  0.493899  0.863998  0.707842  1
  Fe  Fe153  1  0.497140  0.563482  0.650050  1
  Fe  Fe154  1  0.007221  0.276512  0.630144  1
  Fe  Fe155  1  0.996753  0.878755  0.739206  1
  Fe  Fe156  1  0.004711  0.577441  0.685772  1
  Fe  Fe157  1  0.744574  0.200827  0.620775  1
  Fe  Fe158  1  0.739884  0.800325  0.730761  1
  Fe  Fe159  1  0.742379  0.501086  0.676736  1
  Fe  Fe160  1  0.768028  0.179628  0.721153  1
  Fe  Fe161  1  0.758378  0.880612  0.663972  1
  Fe  Fe162  1  0.759151  0.580640  0.608062  1
  Fe  Fe163  1  0.758395  0.023158  0.609324  1
  Fe  Fe164  1  0.747956  0.624850  0.721911  1
  Fe  Fe165  1  0.760315  0.322979  0.664836  1
  Fe  Fe166  1  0.743706  0.002121  0.707948  1
  Fe  Fe167  1  0.744576  0.702986  0.652563  1
  Fe  Fe168  1  0.744842  0.402923  0.596972  1
  Fe  Fe169  1  0.274362  0.032216  0.729391  1
  Fe  Fe170  1  0.271378  0.729054  0.674262  1
  Fe  Fe171  1  0.269915  0.429373  0.617974  1
  Fe  Fe172  1  0.233886  0.985274  0.623972  1
  Fe  Fe173  1  0.238714  0.583640  0.734560  1
  Fe  Fe174  1  0.231180  0.284194  0.680177  1
  Fe  Fe175  1  0.239390  0.217355  0.705844  1
  Fe  Fe176  1  0.232603  0.918696  0.648711  1
  Fe  Fe177  1  0.234234  0.618591  0.593478  1
  Fe  Fe178  1  0.270409  0.174277  0.599506  1
  Fe  Fe179  1  0.266087  0.774573  0.710638  1
  Fe  Fe180  1  0.270850  0.474241  0.654782  1
  Fe  Fe181  1  0.507147  0.127034  0.642849  1
  Fe  Fe182  1  0.507161  0.826935  0.587714  1
  Fe  Fe183  1  0.507796  0.428101  0.698878  1
  Fe  Fe184  1  0.998521  0.140258  0.678161  1
  Fe  Fe185  1  0.997479  0.840080  0.622762  1
  Fe  Fe186  1  0.995148  0.436035  0.732783  1
  Fe  Fe187  1  0.997140  0.063482  0.650050  1
  Fe  Fe188  1  0.997464  0.763550  0.595044  1
  Fe  Fe189  1  0.993899  0.363998  0.707842  1
  Fe  Fe190  1  0.504711  0.077441  0.685772  1
  Fe  Fe191  1  0.507221  0.776512  0.630144  1
  Fe  Fe192  1  0.496753  0.378755  0.739206  1
  Fe  Fe193  1  0.242379  1.001086  0.676736  1
  Fe  Fe194  1  0.244574  0.700827  0.620775  1
  Fe  Fe195  1  0.239884  0.300325  0.730761  1
  Fe  Fe196  1  0.259151  0.080640  0.608062  1
  Fe  Fe197  1  0.268028  0.679628  0.721153  1
  Fe  Fe198  1  0.258378  0.380612  0.663972  1
  Fe  Fe199  1  0.247956  0.124850  0.721911  1
  Fe  Fe200  1  0.260315  0.822979  0.664836  1
  Fe  Fe201  1  0.258395  0.523158  0.609324  1
  Fe  Fe202  1  0.244576  0.202986  0.652563  1
  Fe  Fe203  1  0.244842  0.902923  0.596972  1
  Fe  Fe204  1  0.243706  0.502121  0.707948  1
  Fe  Fe205  1  0.771378  0.229054  0.674262  1
  Fe  Fe206  1  0.769915  0.929373  0.617974  1
  Fe  Fe207  1  0.774362  0.532216  0.729391  1
  Fe  Fe208  1  0.738714  0.083640  0.734560  1
  Fe  Fe209  1  0.731180  0.784194  0.680177  1
  Fe  Fe210  1  0.733886  0.485274  0.623972  1
  Fe  Fe211  1  0.734234  0.118591  0.593478  1
  Fe  Fe212  1  0.739390  0.717355  0.705844  1
  Fe  Fe213  1  0.732603  0.418696  0.648711  1
  Fe  Fe214  1  0.770850  0.974241  0.654782  1
  Fe  Fe215  1  0.770409  0.674277  0.599506  1
  Fe  Fe216  1  0.766087  0.274573  0.710638  1
  P  P217  1  0.503776  0.466046  0.308364  1
  P  P218  1  0.509629  0.165485  0.250881  1
  P  P219  1  0.504761  0.766384  0.363255  1
  P  P220  1  1.000720  0.441985  0.253775  1
  P  P221  1  1.000136  0.044379  0.366975  1
  P  P222  1  1.001866  0.744289  0.311801  1
  P  P223  1  0.999886  0.159538  0.406346  1
  P  P224  1  0.999497  0.859554  0.350849  1
  P  P225  1  0.998870  0.559543  0.296043  1
  P  P226  1  0.504307  0.137465  0.354486  1
  P  P227  1  0.503222  0.837477  0.300149  1
  P  P228  1  0.504506  0.437329  0.410420  1
  P  P229  1  0.004761  0.266384  0.363255  1
  P  P230  1  0.003776  0.966046  0.308364  1
  P  P231  1  0.009629  0.665485  0.250881  1
  P  P232  1  0.501866  0.244289  0.311801  1
  P  P233  1  0.500720  0.941985  0.253775  1
  P  P234  1  0.500136  0.544379  0.366975  1
  P  P235  1  0.499497  0.359554  0.350849  1
  P  P236  1  0.498870  0.059543  0.296043  1
  P  P237  1  0.499886  0.659538  0.406346  1
  P  P238  1  0.003222  0.337477  0.300149  1
  P  P239  1  0.004506  0.937329  0.410420  1
  P  P240  1  0.004307  0.637465  0.354486  1
  P  P241  1  0.504556  0.366439  0.474313  1
  P  P242  1  0.504588  0.066535  0.418713  1
  P  P243  1  0.504616  0.666447  0.529767  1
  P  P244  1  0.999821  0.344230  0.422746  1
  P  P245  1  0.999849  0.944204  0.533662  1
  P  P246  1  0.999813  0.644262  0.478115  1
  P  P247  1  0.999821  0.059507  0.572841  1
  P  P248  1  0.999813  0.759475  0.517472  1
  P  P249  1  0.999849  0.459533  0.461925  1
  P  P250  1  0.504556  0.037298  0.521275  1
  P  P251  1  0.504616  0.737290  0.465820  1
  P  P252  1  0.504588  0.337202  0.576875  1
  P  P253  1  0.004616  0.166447  0.529767  1
  P  P254  1  0.004556  0.866439  0.474313  1
  P  P255  1  0.004588  0.566535  0.418713  1
  P  P256  1  0.499813  0.144262  0.478115  1
  P  P257  1  0.499821  0.844230  0.422746  1
  P  P258  1  0.499849  0.444204  0.533662  1
  P  P259  1  0.499813  0.259475  0.517472  1
  P  P260  1  0.499849  0.959533  0.461925  1
  P  P261  1  0.499821  0.559507  0.572841  1
  P  P262  1  0.004616  0.237290  0.465820  1
  P  P263  1  0.004588  0.837202  0.576875  1
  P  P264  1  0.004556  0.537298  0.521275  1
  P  P265  1  0.504307  0.266272  0.641101  1
  P  P266  1  0.504506  0.966408  0.585167  1
  P  P267  1  0.503222  0.566260  0.695438  1
  P  P268  1  0.999886  0.244199  0.589241  1
  P  P269  1  0.998870  0.844195  0.699545  1
  P  P270  1  0.999497  0.544183  0.644739  1
  P  P271  1  1.000720  0.961752  0.741813  1
  P  P272  1  1.001866  0.659448  0.683787  1
  P  P273  1  1.000136  0.359358  0.628613  1
  P  P274  1  0.503776  0.937691  0.687224  1
  P  P275  1  0.504761  0.637353  0.632332  1
  P  P276  1  0.509629  0.238252  0.744707  1
  P  P277  1  0.003222  0.066260  0.695438  1
  P  P278  1  0.004307  0.766272  0.641101  1
  P  P279  1  0.004506  0.466408  0.585167  1
  P  P280  1  0.499497  0.044183  0.644739  1
  P  P281  1  0.499886  0.744199  0.589241  1
  P  P282  1  0.498870  0.344195  0.699545  1
  P  P283  1  0.501866  0.159448  0.683787  1
  P  P284  1  0.500136  0.859358  0.628613  1
  P  P285  1  0.500720  0.461752  0.741813  1
  P  P286  1  0.004761  0.137353  0.632332  1
  P  P287  1  0.009629  0.738252  0.744707  1
  P  P288  1  0.003776  0.437691  0.687224  1
