# generated using pymatgen
data_FeP4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   49.40842520
_cell_length_b   19.76126312
_cell_length_c   48.59049142
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   78.82410277
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeP4
_chemical_formula_sum   'Fe180 P720'
_cell_volume   46542.7770528
_cell_formula_units_Z   180
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  0.806492  0.906027  0.331038  1
  Fe  Fe2  1  0.136793  0.020094  0.318553  1
  Fe  Fe3  1  0.474430  0.076895  0.284086  1
  Fe  Fe4  1  0.803843  0.460231  0.347676  1
  Fe  Fe5  1  0.135962  0.524061  0.326960  1
  Fe  Fe6  1  0.479516  0.604904  0.304775  1
  Fe  Fe7  1  0.632535  0.901978  0.374258  1
  Fe  Fe8  1  0.975415  0.923344  0.330927  1
  Fe  Fe9  1  0.311683  0.029357  0.307008  1
  Fe  Fe10  1  0.635239  0.337232  0.357084  1
  Fe  Fe11  1  0.975135  0.444650  0.333636  1
  Fe  Fe12  1  0.311684  0.512716  0.305022  1
  Fe  Fe13  1  0.905358  0.625767  0.363792  1
  Fe  Fe14  1  0.242369  0.683222  0.332130  1
  Fe  Fe15  1  0.579564  0.787554  0.331516  1
  Fe  Fe16  1  0.904723  0.088906  0.355687  1
  Fe  Fe17  1  0.238396  0.190501  0.332179  1
  Fe  Fe18  1  0.578879  0.220248  0.311304  1
  Fe  Fe19  1  0.757278  0.800410  0.290049  1
  Fe  Fe20  1  0.077808  0.688662  0.346254  1
  Fe  Fe21  1  0.416503  0.759134  0.326880  1
  Fe  Fe22  1  0.750589  0.356943  0.307549  1
  Fe  Fe23  1  0.072461  0.182191  0.344181  1
  Fe  Fe24  1  0.418028  0.217232  0.312491  1
  Fe  Fe25  1  0.860230  0.853710  0.310090  1
  Fe  Fe26  1  0.188771  0.744839  0.361386  1
  Fe  Fe27  1  0.522406  0.837954  0.351557  1
  Fe  Fe28  1  0.858255  0.409351  0.323972  1
  Fe  Fe29  1  0.184669  0.236497  0.363073  1
  Fe  Fe30  1  0.522771  0.284948  0.332920  1
  Fe  Fe31  1  0.690237  0.617231  0.340908  1
  Fe  Fe32  1  0.037263  0.681882  0.304889  1
  Fe  Fe33  1  0.354420  0.508057  0.345480  1
  Fe  Fe34  1  0.696780  0.058076  0.321968  1
  Fe  Fe35  1  0.029211  0.189325  0.306894  1
  Fe  Fe36  1  0.349884  0.042741  0.349704  1
  Fe  Fe37  1  0.790770  0.733997  0.429238  1
  Fe  Fe38  1  0.126129  0.806832  0.400085  1
  Fe  Fe39  1  0.464078  0.888306  0.373816  1
  Fe  Fe40  1  0.793418  0.173163  0.413454  1
  Fe  Fe41  1  0.128362  0.284292  0.396056  1
  Fe  Fe42  1  0.466959  0.335936  0.357338  1
  Fe  Fe43  1  0.622935  0.608183  0.438201  1
  Fe  Fe44  1  0.962515  0.726118  0.415217  1
  Fe  Fe45  1  0.298587  0.782330  0.380905  1
  Fe  Fe46  1  0.619041  0.172486  0.455277  1
  Fe  Fe47  1  0.957840  0.206005  0.404365  1
  Fe  Fe48  1  0.294117  0.305355  0.383468  1
  Fe  Fe49  1  0.893680  0.357152  0.438104  1
  Fe  Fe50  1  0.225109  0.460708  0.415147  1
  Fe  Fe51  1  0.566801  0.501717  0.386008  1
  Fe  Fe52  1  0.893717  0.896470  0.447983  1
  Fe  Fe53  1  0.229646  0.957471  0.414575  1
  Fe  Fe54  1  0.564342  0.065784  0.404082  1
  Fe  Fe55  1  0.735954  0.627451  0.378700  1
  Fe  Fe56  1  0.059970  0.449603  0.432139  1
  Fe  Fe57  1  0.397388  0.501866  0.390879  1
  Fe  Fe58  1  0.738849  0.067727  0.360930  1
  Fe  Fe59  1  0.063672  0.966207  0.432334  1
  Fe  Fe60  1  0.397509  0.053000  0.402957  1
  Fe  Fe61  1  0.852709  0.673641  0.395019  1
  Fe  Fe62  1  0.170318  0.503879  0.448448  1
  Fe  Fe63  1  0.509446  0.550642  0.415079  1
  Fe  Fe64  1  0.849076  0.128961  0.383733  1
  Fe  Fe65  1  0.174921  0.015421  0.446308  1
  Fe  Fe66  1  0.507691  0.115695  0.430692  1
  Fe  Fe67  1  0.680092  0.335244  0.400218  1
  Fe  Fe68  1  0.014691  0.451565  0.376198  1
  Fe  Fe69  1  0.335178  0.312881  0.430261  1
  Fe  Fe70  1  0.677911  0.902228  0.417129  1
  Fe  Fe71  1  0.016020  0.951612  0.373788  1
  Fe  Fe72  1  0.341404  0.775765  0.429380  1
  Fe  Fe73  1  0.781251  0.447447  0.495229  1
  Fe  Fe74  1  0.115656  0.555265  0.480388  1
  Fe  Fe75  1  0.453716  0.604202  0.443148  1
  Fe  Fe76  1  0.778295  1.005668  0.512266  1
  Fe  Fe77  1  0.112524  0.077033  0.486685  1
  Fe  Fe78  1  0.449838  0.162681  0.456988  1
  Fe  Fe79  1  0.606627  0.445383  0.537192  1
  Fe  Fe80  1  0.944536  0.471304  0.491556  1
  Fe  Fe81  1  0.280634  0.574750  0.468649  1
  Fe  Fe82  1  0.609645  0.880834  0.518561  1
  Fe  Fe83  1  0.949717  1.000026  0.499552  1
  Fe  Fe84  1  0.284729  0.056604  0.465424  1
  Fe  Fe85  1  0.880273  0.169585  0.532211  1
  Fe  Fe86  1  0.216372  0.229274  0.499573  1
  Fe  Fe87  1  0.550986  0.337632  0.486229  1
  Fe  Fe88  1  0.880859  0.628433  0.522795  1
  Fe  Fe89  1  0.212664  0.732176  0.499269  1
  Fe  Fe90  1  0.553259  0.776532  0.467915  1
  Fe  Fe91  1  0.725350  0.337224  0.444682  1
  Fe  Fe92  1  0.051715  0.235245  0.518697  1
  Fe  Fe93  1  0.383613  0.326067  0.486794  1
  Fe  Fe94  1  0.724130  0.899453  0.461109  1
  Fe  Fe95  1  0.045949  0.724129  0.511756  1
  Fe  Fe96  1  0.384424  0.775321  0.474277  1
  Fe  Fe97  1  0.836512  0.401341  0.466895  1
  Fe  Fe98  1  0.161826  0.286850  0.531740  1
  Fe  Fe99  1  0.494495  0.386279  0.513266  1
  Fe  Fe100  1  0.840357  0.946193  0.478399  1
  Fe  Fe101  1  0.158019  0.776261  0.531760  1
  Fe  Fe102  1  0.496064  0.827142  0.495948  1
  Fe  Fe103  1  0.664321  0.172041  0.499513  1
  Fe  Fe104  1  0.005054  0.219948  0.462864  1
  Fe  Fe105  1  0.327828  0.050630  0.512711  1
  Fe  Fe106  1  0.668602  0.609402  0.481861  1
  Fe  Fe107  1  0.004650  0.723685  0.464148  1
  Fe  Fe108  1  0.322254  0.583455  0.515125  1
  Fe  Fe109  1  0.765302  0.277632  0.594430  1
  Fe  Fe110  1  0.099965  0.347499  0.574226  1
  Fe  Fe111  1  0.436686  0.434353  0.539898  1
  Fe  Fe112  1  0.768329  0.720854  0.578735  1
  Fe  Fe113  1  0.102675  0.826782  0.563720  1
  Fe  Fe114  1  0.440452  0.879325  0.524848  1
  Fe  Fe115  1  0.596981  0.154195  0.600435  1
  Fe  Fe116  1  0.936553  0.271677  0.584722  1
  Fe  Fe117  1  0.272288  0.329246  0.550779  1
  Fe  Fe118  1  0.593647  0.717602  0.619599  1
  Fe  Fe119  1  0.931768  0.742379  0.576714  1
  Fe  Fe120  1  0.267946  0.846153  0.552348  1
  Fe  Fe121  1  0.865784  0.902405  0.606968  1
  Fe  Fe122  1  0.199436  1.001560  0.584639  1
  Fe  Fe123  1  0.540032  0.048300  0.548901  1
  Fe  Fe124  1  0.866917  0.441023  0.617316  1
  Fe  Fe125  1  0.206790  0.499658  0.581777  1
  Fe  Fe126  1  0.538456  0.612186  0.567696  1
  Fe  Fe127  1  0.710917  0.171500  0.543148  1
  Fe  Fe128  1  0.032596  0.995007  0.596532  1
  Fe  Fe129  1  0.371050  0.049149  0.557781  1
  Fe  Fe130  1  0.712978  0.611463  0.526324  1
  Fe  Fe131  1  0.038213  0.505473  0.604384  1
  Fe  Fe132  1  0.370721  0.596780  0.571650  1
  Fe  Fe133  1  0.826561  0.219994  0.561316  1
  Fe  Fe134  1  0.144823  0.043300  0.617760  1
  Fe  Fe135  1  0.482846  0.098308  0.578012  1
  Fe  Fe136  1  0.823759  0.673602  0.550939  1
  Fe  Fe137  1  0.143880  0.566324  0.620638  1
  Fe  Fe138  1  0.481564  0.660862  0.594748  1
  Fe  Fe139  1  0.654951  0.879404  0.563512  1
  Fe  Fe140  1  0.991086  0.999705  0.546919  1
  Fe  Fe141  1  0.309522  0.855315  0.599020  1
  Fe  Fe142  1  0.652156  0.445707  0.581055  1
  Fe  Fe143  1  0.992222  0.490288  0.547288  1
  Fe  Fe144  1  0.315434  0.324089  0.598099  1
  Fe  Fe145  1  0.750818  0.993362  0.656768  1
  Fe  Fe146  1  0.089419  0.091586  0.649393  1
  Fe  Fe147  1  0.427665  0.151898  0.608831  1
  Fe  Fe148  1  0.753475  0.552117  0.671384  1
  Fe  Fe149  1  0.090489  0.620923  0.650109  1
  Fe  Fe150  1  0.424607  0.707939  0.621859  1
  Fe  Fe151  1  0.573775  0.999111  0.691882  1
  Fe  Fe152  1  0.915703  0.021465  0.660965  1
  Fe  Fe153  1  0.253495  0.118301  0.636238  1
  Fe  Fe154  1  0.580662  0.430606  0.671817  1
  Fe  Fe155  1  0.922326  0.542739  0.667195  1
  Fe  Fe156  1  0.260295  0.602269  0.635168  1
  Fe  Fe157  1  0.858428  0.705916  0.693340  1
  Fe  Fe158  1  0.192170  0.776588  0.669513  1
  Fe  Fe159  1  0.525595  0.882560  0.649901  1
  Fe  Fe160  1  0.852487  0.191013  0.678738  1
  Fe  Fe161  1  0.184967  0.279532  0.666207  1
  Fe  Fe162  1  0.528042  0.322269  0.630023  1
  Fe  Fe163  1  0.699020  0.883346  0.608763  1
  Fe  Fe164  1  0.020967  0.790261  0.676772  1
  Fe  Fe165  1  0.358099  0.873228  0.652199  1
  Fe  Fe166  1  0.697978  0.444809  0.624605  1
  Fe  Fe167  1  0.017855  0.276580  0.677137  1
  Fe  Fe168  1  0.359458  0.321674  0.642552  1
  Fe  Fe169  1  0.808599  0.947659  0.633082  1
  Fe  Fe170  1  0.138244  0.831863  0.695967  1
  Fe  Fe171  1  0.469379  0.925386  0.672704  1
  Fe  Fe172  1  0.811491  0.491728  0.645232  1
  Fe  Fe173  1  0.130604  0.333154  0.688068  1
  Fe  Fe174  1  0.471147  0.368170  0.653247  1
  Fe  Fe175  1  0.637919  0.718014  0.661272  1
  Fe  Fe176  1  0.979773  0.765496  0.633620  1
  Fe  Fe177  1  0.304835  0.608515  0.673544  1
  Fe  Fe178  1  0.641708  0.156569  0.642934  1
  Fe  Fe179  1  0.977819  0.267976  0.632693  1
  Fe  Fe180  1  0.294678  0.134046  0.678198  1
  P  P181  1  0.770993  0.862981  0.358103  1
  P  P182  1  0.104459  0.979798  0.341470  1
  P  P183  1  0.445310  0.017659  0.301911  1
  P  P184  1  0.769349  0.416687  0.375565  1
  P  P185  1  0.103490  0.484045  0.348460  1
  P  P186  1  0.443710  0.562596  0.318877  1
  P  P187  1  0.605878  0.968999  0.336611  1
  P  P188  1  0.937325  0.799756  0.377756  1
  P  P189  1  0.274062  0.857651  0.344604  1
  P  P190  1  0.609353  0.411686  0.320849  1
  P  P191  1  0.933622  0.278189  0.368887  1
  P  P192  1  0.267684  0.373795  0.345401  1
  P  P193  1  0.941041  0.667266  0.336358  1
  P  P194  1  0.279515  0.717582  0.304577  1
  P  P195  1  0.602061  0.551186  0.360678  1
  P  P196  1  0.939285  0.139178  0.329107  1
  P  P197  1  0.273679  0.233403  0.303829  1
  P  P198  1  0.601027  0.105772  0.377130  1
  P  P199  1  0.775944  0.717900  0.318032  1
  P  P200  1  0.114146  0.846119  0.302837  1
  P  P201  1  0.435035  0.699886  0.362496  1
  P  P202  1  0.773175  0.275566  0.334477  1
  P  P203  1  0.110843  0.354835  0.306201  1
  P  P204  1  0.437363  0.155056  0.347490  1
  P  P205  1  0.784730  0.875449  0.286838  1
  P  P206  1  0.105254  0.771711  0.358801  1
  P  P207  1  0.442327  0.853584  0.331674  1
  P  P208  1  0.780149  0.429138  0.304915  1
  P  P209  1  0.102782  0.260427  0.356341  1
  P  P210  1  0.443133  0.310646  0.315654  1
  P  P211  1  0.938108  0.979041  0.354547  1
  P  P212  1  0.271927  0.077129  0.327357  1
  P  P213  1  0.610377  0.121590  0.302718  1
  P  P214  1  0.938009  0.514185  0.359652  1
  P  P215  1  0.273680  0.562800  0.326502  1
  P  P216  1  0.611228  0.696781  0.319324  1
  P  P217  1  0.664723  0.987331  0.309743  1
  P  P218  1  0.992329  0.856251  0.365481  1
  P  P219  1  0.323580  0.952531  0.340049  1
  P  P220  1  0.659444  0.551944  0.325310  1
  P  P221  1  0.985489  0.366636  0.366980  1
  P  P222  1  0.326877  0.420126  0.330346  1
  P  P223  1  0.836178  0.958509  0.298490  1
  P  P224  1  0.155594  0.857652  0.366294  1
  P  P225  1  0.493346  0.943574  0.345218  1
  P  P226  1  0.831705  0.513658  0.313811  1
  P  P227  1  0.152806  0.346981  0.364774  1
  P  P228  1  0.493380  0.397406  0.326800  1
  P  P229  1  0.715272  0.703616  0.341578  1
  P  P230  1  0.060834  0.767079  0.307106  1
  P  P231  1  0.384227  0.586899  0.354862  1
  P  P232  1  0.722248  0.148845  0.322855  1
  P  P233  1  0.057302  0.265061  0.305214  1
  P  P234  1  0.377228  0.125962  0.364004  1
  P  P235  1  0.890224  0.757526  0.299308  1
  P  P236  1  0.215412  0.631009  0.361890  1
  P  P237  1  0.552286  0.731342  0.354885  1
  P  P238  1  0.888249  0.309138  0.311439  1
  P  P239  1  0.215891  0.124447  0.361519  1
  P  P240  1  0.551241  0.169681  0.335967  1
  P  P241  1  0.710708  0.543538  0.372673  1
  P  P242  1  0.052600  0.605671  0.337208  1
  P  P243  1  0.386974  0.698812  0.306475  1
  P  P244  1  0.715517  0.981588  0.354606  1
  P  P245  1  0.048034  0.097923  0.331124  1
  P  P246  1  0.391102  0.145734  0.296734  1
  P  P247  1  0.881286  0.733633  0.368093  1
  P  P248  1  0.217210  0.799913  0.331911  1
  P  P249  1  0.553881  0.887645  0.318771  1
  P  P250  1  0.877916  0.193669  0.356015  1
  P  P251  1  0.211989  0.299289  0.331549  1
  P  P252  1  0.556169  0.329627  0.302313  1
  P  P253  1  0.657303  0.982306  0.380204  1
  P  P254  1  0.996932  0.022010  0.335289  1
  P  P255  1  0.331605  0.119378  0.311891  1
  P  P256  1  0.659434  0.419689  0.365195  1
  P  P257  1  0.998930  0.535582  0.338331  1
  P  P258  1  0.337646  0.591687  0.306150  1
  P  P259  1  0.830028  0.796132  0.331315  1
  P  P260  1  0.166857  0.925074  0.305964  1
  P  P261  1  0.490782  0.784832  0.377800  1
  P  P262  1  0.829957  0.353572  0.346964  1
  P  P263  1  0.163683  0.434919  0.308845  1
  P  P264  1  0.490994  0.228983  0.359586  1
  P  P265  1  0.655557  0.684877  0.369689  1
  P  P266  1  0.997430  0.725939  0.323178  1
  P  P267  1  0.328214  0.819984  0.301325  1
  P  P268  1  0.661166  0.129458  0.346898  1
  P  P269  1  0.988615  0.243531  0.320317  1
  P  P270  1  0.336526  0.277869  0.290469  1
  P  P271  1  0.827374  0.641870  0.358272  1
  P  P272  1  0.163292  0.719735  0.324752  1
  P  P273  1  0.505209  0.792571  0.309407  1
  P  P274  1  0.827531  0.093633  0.343514  1
  P  P275  1  0.160271  0.211662  0.323800  1
  P  P276  1  0.504530  0.245828  0.291178  1
  P  P277  1  0.725202  1.004349  0.285589  1
  P  P278  1  0.052657  0.898439  0.349516  1
  P  P279  1  0.386008  0.984935  0.322750  1
  P  P280  1  0.721330  0.562042  0.304233  1
  P  P281  1  0.050845  0.394510  0.349985  1
  P  P282  1  0.388430  0.452129  0.312746  1
  P  P283  1  0.884987  0.895785  0.342432  1
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  P  P864  1  0.502865  0.696975  0.635028  1
  P  P865  1  0.786424  0.760946  0.618905  1
  P  P866  1  0.110207  0.650965  0.690033  1
  P  P867  1  0.443350  0.739978  0.663279  1
  P  P868  1  0.788058  0.306694  0.632428  1
  P  P869  1  0.108874  0.120483  0.688952  1
  P  P870  1  0.447469  0.185482  0.648299  1
  P  P871  1  0.609757  0.927492  0.670194  1
  P  P872  1  0.949920  0.970976  0.631764  1
  P  P873  1  0.279757  0.815406  0.687418  1
  P  P874  1  0.615126  0.367067  0.648243  1
  P  P875  1  0.954476  0.477039  0.638484  1
  P  P876  1  0.271172  0.339594  0.690520  1
  P  P877  1  0.830507  0.142163  0.647345  1
  P  P878  1  0.165996  0.234984  0.628956  1
  P  P879  1  0.497135  0.111383  0.691307  1
  P  P880  1  0.836192  0.675778  0.658026  1
  P  P881  1  0.171726  0.744937  0.631942  1
  P  P882  1  0.497518  0.558807  0.668658  1
  P  P883  1  0.668540  0.944295  0.639733  1
  P  P884  1  0.001628  0.055075  0.627136  1
  P  P885  1  0.325027  0.921579  0.682897  1
  P  P886  1  0.666811  0.497720  0.658546  1
  P  P887  1  0.004713  0.559956  0.630940  1
  P  P888  1  0.330239  0.378175  0.675687  1
  P  P889  1  0.722470  0.664507  0.676261  1
  P  P890  1  0.058054  0.733718  0.653235  1
  P  P891  1  0.392267  0.818570  0.620800  1
  P  P892  1  0.722219  0.102920  0.664620  1
  P  P893  1  0.055419  0.203775  0.654836  1
  P  P894  1  0.395399  0.265241  0.611240  1
  P  P895  1  0.546846  0.916969  0.693512  1
  P  P896  1  0.889345  0.934560  0.646627  1
  P  P897  1  0.218909  0.795820  0.708704  1
  P  P898  1  0.550358  0.354355  0.673251  1
  P  P899  1  0.891761  0.465492  0.657349  1
  P  P900  1  0.212185  0.297897  0.705829  1
