# generated using pymatgen
data_FeP4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   17.03337979
_cell_length_b   15.79096773
_cell_length_c   54.28129963
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   77.97625840
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeP4
_chemical_formula_sum   'Fe60 P240'
_cell_volume   14279.9246896
_cell_formula_units_Z   60
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  0.295240  0.757309  0.294700  1
  Fe  Fe2  1  0.252497  0.163955  0.324261  1
  Fe  Fe3  1  0.804892  0.720268  0.290424  1
  Fe  Fe4  1  0.754041  0.119553  0.331003  1
  Fe  Fe5  1  0.553813  0.359660  0.335559  1
  Fe  Fe6  1  0.589494  0.967778  0.294568  1
  Fe  Fe7  1  0.054047  0.406054  0.333201  1
  Fe  Fe8  1  0.102972  0.010216  0.300108  1
  Fe  Fe9  1  0.387965  0.450298  0.353065  1
  Fe  Fe10  1  0.428382  0.065972  0.309057  1
  Fe  Fe11  1  0.939064  0.372344  0.296984  1
  Fe  Fe12  1  0.903007  0.766421  0.331888  1
  Fe  Fe13  1  0.196193  0.565498  0.374747  1
  Fe  Fe14  1  0.148255  0.967415  0.420756  1
  Fe  Fe15  1  0.704275  0.516729  0.375264  1
  Fe  Fe16  1  0.655232  0.917169  0.420670  1
  Fe  Fe17  1  0.456578  0.154022  0.425961  1
  Fe  Fe18  1  0.505794  0.755444  0.379776  1
  Fe  Fe19  1  0.963393  0.202475  0.428641  1
  Fe  Fe20  1  0.006666  0.802379  0.377495  1
  Fe  Fe21  1  0.289718  0.249914  0.443803  1
  Fe  Fe22  1  0.338945  0.846683  0.399370  1
  Fe  Fe23  1  0.854685  0.153629  0.373902  1
  Fe  Fe24  1  0.802281  0.550964  0.420955  1
  Fe  Fe25  1  0.101259  0.367289  0.466152  1
  Fe  Fe26  1  0.053261  0.765291  0.511497  1
  Fe  Fe27  1  0.607402  0.313776  0.466875  1
  Fe  Fe28  1  0.560152  0.712685  0.512195  1
  Fe  Fe29  1  0.360823  0.951608  0.517491  1
  Fe  Fe30  1  0.409166  0.552690  0.471497  1
  Fe  Fe31  1  0.866104  0.001646  0.518266  1
  Fe  Fe32  1  0.914320  0.603368  0.472879  1
  Fe  Fe33  1  0.195111  0.045699  0.536083  1
  Fe  Fe34  1  0.242785  0.648910  0.489575  1
  Fe  Fe35  1  0.755385  0.952158  0.465651  1
  Fe  Fe36  1  0.706571  0.349835  0.511819  1
  Fe  Fe37  1  0.005533  0.163860  0.557980  1
  Fe  Fe38  1  0.958726  0.561649  0.604077  1
  Fe  Fe39  1  0.511143  0.112062  0.557877  1
  Fe  Fe40  1  0.460530  0.506513  0.601220  1
  Fe  Fe41  1  0.266643  0.750763  0.607881  1
  Fe  Fe42  1  0.311875  0.348509  0.562941  1
  Fe  Fe43  1  0.770785  0.796180  0.609737  1
  Fe  Fe44  1  0.818723  0.399449  0.564028  1
  Fe  Fe45  1  0.099714  0.844331  0.626456  1
  Fe  Fe46  1  0.147296  0.445813  0.579879  1
  Fe  Fe47  1  0.660097  0.749339  0.556046  1
  Fe  Fe48  1  0.609673  0.147044  0.603603  1
  Fe  Fe49  1  0.911205  0.956044  0.649139  1
  Fe  Fe50  1  0.871385  0.349253  0.691342  1
  Fe  Fe51  1  0.418190  0.905885  0.649233  1
  Fe  Fe52  1  0.350396  0.314170  0.687537  1
  Fe  Fe53  1  0.173975  0.538592  0.692411  1
  Fe  Fe54  1  0.224551  0.143693  0.655960  1
  Fe  Fe55  1  0.667601  0.595734  0.692676  1
  Fe  Fe56  1  0.719879  0.192692  0.655142  1
  Fe  Fe57  1  0.005867  0.636709  0.707955  1
  Fe  Fe58  1  0.033406  0.254496  0.675841  1
  Fe  Fe59  1  0.568625  0.551326  0.653076  1
  Fe  Fe60  1  0.521358  0.941755  0.690334  1
  P  P61  1  0.174791  0.758046  0.308521  1
  P  P62  1  0.136857  0.153033  0.352147  1
  P  P63  1  0.653318  0.572997  0.333660  1
  P  P64  1  0.704411  0.174853  0.289788  1
  P  P65  1  0.677131  0.373377  0.312469  1
  P  P66  1  0.627227  0.771690  0.355241  1
  P  P67  1  0.202523  0.558597  0.289316  1
  P  P68  1  0.162425  0.950951  0.333337  1
  P  P69  1  0.145471  0.498589  0.339347  1
  P  P70  1  0.195907  0.094871  0.290421  1
  P  P71  1  0.687900  0.833361  0.296639  1
  P  P72  1  0.637990  0.216744  0.346751  1
  P  P73  1  0.811695  0.665129  0.327605  1
  P  P74  1  0.864354  0.284430  0.278671  1
  P  P75  1  0.298064  0.593853  0.343980  1
  P  P76  1  0.348597  0.200846  0.295340  1
  P  P77  1  0.025311  0.466266  0.291028  1
  P  P78  1  0.991136  0.864951  0.336365  1
  P  P79  1  0.577809  0.528311  0.278444  1
  P  P80  1  0.509892  0.923256  0.321758  1
  P  P81  1  0.980598  0.303788  0.331609  1
  P  P82  1  0.042286  0.920533  0.280461  1
  P  P83  1  0.484811  0.494438  0.326384  1
  P  P84  1  0.531597  0.094908  0.278507  1
  P  P85  1  0.883152  0.817672  0.288154  1
  P  P86  1  0.826493  0.222179  0.334559  1
  P  P87  1  0.376762  0.633063  0.288935  1
  P  P88  1  0.325518  0.037524  0.337178  1
  P  P89  1  0.830931  0.474539  0.303863  1
  P  P90  1  0.794375  0.864483  0.346752  1
  P  P91  1  0.326165  0.398537  0.319838  1
  P  P92  1  0.376271  0.995768  0.276059  1
  P  P93  1  0.012826  0.661008  0.315287  1
  P  P94  1  0.968370  0.063498  0.359052  1
  P  P95  1  0.537070  0.727797  0.297844  1
  P  P96  1  0.482322  0.129468  0.340871  1
  P  P97  1  0.298077  0.239385  0.356813  1
  P  P98  1  0.350972  0.846299  0.314930  1
  P  P99  1  0.803969  0.414696  0.359326  1
  P  P100  1  0.854674  0.018500  0.311652  1
  P  P101  1  0.455385  0.688605  0.348379  1
  P  P102  1  0.510230  0.292874  0.302693  1
  P  P103  1  0.955246  0.512666  0.350843  1
  P  P104  1  0.003716  0.124067  0.302953  1
  P  P105  1  0.163565  0.302272  0.311969  1
  P  P106  1  0.118948  0.703169  0.361850  1
  P  P107  1  0.721077  0.639006  0.273690  1
  P  P108  1  0.661492  0.022621  0.323413  1
  P  P109  1  0.080711  0.548344  0.398314  1
  P  P110  1  0.033538  0.947632  0.444019  1
  P  P111  1  0.555359  0.365872  0.424942  1
  P  P112  1  0.602830  0.970309  0.378989  1
  P  P113  1  0.578521  0.168131  0.401822  1
  P  P114  1  0.530876  0.564773  0.447056  1
  P  P115  1  0.104824  0.350300  0.375008  1
  P  P116  1  0.056551  0.748186  0.419941  1
  P  P117  1  0.050086  0.305523  0.431198  1
  P  P118  1  0.096393  0.903804  0.385605  1
  P  P119  1  0.588337  0.612242  0.391048  1
  P  P120  1  0.540139  0.009412  0.436724  1
  P  P121  1  0.719363  0.451079  0.416602  1
  P  P122  1  0.769790  0.055058  0.370712  1
  P  P123  1  0.202349  0.397208  0.435409  1
  P  P124  1  0.251116  0.994132  0.390586  1
  P  P125  1  0.937086  0.260314  0.385702  1
  P  P126  1  0.889122  0.659990  0.429786  1
  P  P127  1  0.461984  0.318065  0.365269  1
  P  P128  1  0.414667  0.712959  0.410536  1
  P  P129  1  0.886626  0.100367  0.417941  1
  P  P130  1  0.929871  0.704835  0.373245  1
  P  P131  1  0.387279  0.289205  0.417320  1
  P  P132  1  0.433888  0.890133  0.372817  1
  P  P133  1  0.774869  0.619515  0.382211  1
  P  P134  1  0.728297  0.019718  0.426468  1
  P  P135  1  0.276398  0.430426  0.381914  1
  P  P136  1  0.227204  0.828614  0.427581  1
  P  P137  1  0.747852  0.253783  0.393340  1
  P  P138  1  0.697760  0.651737  0.438961  1
  P  P139  1  0.227129  0.197894  0.411378  1
  P  P140  1  0.275383  0.793009  0.366886  1
  P  P141  1  0.915258  0.460043  0.406837  1
  P  P142  1  0.867474  0.860468  0.451302  1
  P  P143  1  0.435085  0.518717  0.386806  1
  P  P144  1  0.388250  0.914210  0.432747  1
  P  P145  1  0.204174  0.032004  0.450777  1
  P  P146  1  0.251411  0.632149  0.404925  1
  P  P147  1  0.706000  0.212897  0.450094  1
  P  P148  1  0.754112  0.816185  0.403734  1
  P  P149  1  0.360968  0.484098  0.440271  1
  P  P150  1  0.408081  0.088232  0.394100  1
  P  P151  1  0.860191  0.303391  0.442306  1
  P  P152  1  0.909232  0.905966  0.394415  1
  P  P153  1  0.072376  0.106244  0.407591  1
  P  P154  1  0.023112  0.506114  0.453887  1
  P  P155  1  0.614787  0.413896  0.369608  1
  P  P156  1  0.568090  0.809450  0.413989  1
  P  P157  1  0.986140  0.345843  0.489733  1
  P  P158  1  0.937565  0.744997  0.534873  1
  P  P159  1  0.459337  0.163086  0.516001  1
  P  P160  1  0.509154  0.763882  0.470047  1
  P  P161  1  0.482230  0.964378  0.492675  1
  P  P162  1  0.434360  0.362149  0.538616  1
  P  P163  1  0.012685  0.145508  0.467276  1
  P  P164  1  0.963683  0.545423  0.512438  1
  P  P165  1  0.953123  0.103080  0.522715  1
  P  P166  1  1.000777  0.706200  0.476261  1
  P  P167  1  0.492722  0.407464  0.482733  1
  P  P168  1  0.445408  0.806505  0.527908  1
  P  P169  1  0.623345  0.247615  0.507646  1
  P  P170  1  0.672394  0.850313  0.461280  1
  P  P171  1  0.107022  0.192632  0.527195  1
  P  P172  1  0.154406  0.795886  0.480996  1
  P  P173  1  0.843379  0.059729  0.474921  1
  P  P174  1  0.795542  0.456314  0.520824  1
  P  P175  1  0.364821  0.112214  0.455702  1
  P  P176  1  0.317975  0.511074  0.501283  1
  P  P177  1  0.789607  0.898985  0.509089  1
  P  P178  1  0.837168  0.500097  0.464260  1
  P  P179  1  0.291023  0.085936  0.508584  1
  P  P180  1  0.339872  0.688031  0.462706  1
  P  P181  1  0.680363  0.416846  0.472509  1
  P  P182  1  0.633088  0.816064  0.517297  1
  P  P183  1  0.180321  0.228921  0.472986  1
  P  P184  1  0.132078  0.627839  0.518314  1
  P  P185  1  0.650973  0.050192  0.484111  1
  P  P186  1  0.602608  0.448614  0.530095  1
  P  P187  1  0.130818  0.993855  0.504159  1
  P  P188  1  0.178094  0.596779  0.458007  1
  P  P189  1  0.819025  0.257184  0.498127  1
  P  P190  1  0.772230  0.655026  0.542933  1
  P  P191  1  0.339872  0.313523  0.477887  1
  P  P192  1  0.292342  0.712692  0.523152  1
  P  P193  1  0.108454  0.829362  0.541778  1
  P  P194  1  0.157141  0.430614  0.496324  1
  P  P195  1  0.610151  0.009869  0.541074  1
  P  P196  1  0.658527  0.610311  0.495790  1
  P  P197  1  0.265287  0.279999  0.531573  1
  P  P198  1  0.312931  0.882808  0.486039  1
  P  P199  1  0.763788  0.100393  0.532933  1
  P  P200  1  0.811637  0.703235  0.486909  1
  P  P201  1  0.975032  0.904940  0.499243  1
  P  P202  1  0.927838  0.301942  0.545345  1
  P  P203  1  0.518655  0.207361  0.460082  1
  P  P204  1  0.471733  0.606454  0.505288  1
  P  P205  1  0.889126  0.142107  0.581149  1
  P  P206  1  0.840316  0.541651  0.625455  1
  P  P207  1  0.365012  0.961304  0.607256  1
  P  P208  1  0.411615  0.561586  0.560664  1
  P  P209  1  0.389416  0.761690  0.583942  1
  P  P210  1  0.339347  0.159980  0.630568  1
  P  P211  1  0.915560  0.943149  0.558133  1
  P  P212  1  0.868099  0.340785  0.603767  1
  P  P213  1  0.859005  0.896087  0.613757  1
  P  P214  1  0.905648  0.501184  0.568046  1
  P  P215  1  0.395975  0.204697  0.574241  1
  P  P216  1  0.351806  0.607259  0.618556  1
  P  P217  1  0.528210  0.045734  0.598384  1
  P  P218  1  0.575090  0.647262  0.553226  1
  P  P219  1  0.010429  0.988629  0.618229  1
  P  P220  1  0.058247  0.592012  0.571667  1
  P  P221  1  0.748924  0.854834  0.565937  1
  P  P222  1  0.700675  0.249894  0.611543  1
  P  P223  1  0.270445  0.908429  0.547378  1
  P  P224  1  0.220619  0.308287  0.593625  1
  P  P225  1  0.693789  0.696213  0.599137  1
  P  P226  1  0.741477  0.296711  0.555137  1
  P  P227  1  0.195804  0.884320  0.599451  1
  P  P228  1  0.243426  0.484288  0.553418  1
  P  P229  1  0.584356  0.213432  0.563783  1
  P  P230  1  0.539338  0.606331  0.609839  1
  P  P231  1  0.083736  0.025664  0.564686  1
  P  P232  1  0.039237  0.424482  0.609096  1
  P  P233  1  0.556180  0.848862  0.574972  1
  P  P234  1  0.505290  0.247188  0.621690  1
  P  P235  1  0.036106  0.790379  0.594912  1
  P  P236  1  0.082737  0.390739  0.549172  1
  P  P237  1  0.722814  0.051924  0.589150  1
  P  P238  1  0.673126  0.449242  0.634683  1
  P  P239  1  0.243526  0.110639  0.569719  1
  P  P240  1  0.197998  0.514660  0.613380  1
  P  P241  1  0.017858  0.627075  0.632981  1
  P  P242  1  0.059400  0.225788  0.589003  1
  P  P243  1  0.515455  0.803748  0.631652  1
  P  P244  1  0.562385  0.405214  0.587015  1
  P  P245  1  0.171142  0.075501  0.623647  1
  P  P246  1  0.217920  0.681142  0.576571  1
  P  P247  1  0.668513  0.896314  0.624074  1
  P  P248  1  0.715595  0.498383  0.578377  1
  P  P249  1  0.880817  0.699995  0.590523  1
  P  P250  1  0.830825  0.093209  0.636355  1
  P  P251  1  0.422874  0.005326  0.551189  1
  P  P252  1  0.374643  0.403641  0.596448  1
  P  P253  1  0.793172  0.934508  0.671910  1
  P  P254  1  0.751086  0.333958  0.715433  1
  P  P255  1  0.269728  0.751663  0.694687  1
  P  P256  1  0.310447  0.358764  0.650465  1
  P  P257  1  0.294705  0.554826  0.672599  1
  P  P258  1  0.247808  0.945214  0.715903  1
  P  P259  1  0.821158  0.738103  0.649611  1
  P  P260  1  0.768355  0.134582  0.694038  1
  P  P261  1  0.767397  0.672897  0.707591  1
  P  P262  1  0.809504  0.290054  0.658574  1
  P  P263  1  0.304706  0.006082  0.665959  1
  P  P264  1  0.249384  0.416456  0.712959  1
  P  P265  1  0.433368  0.841753  0.691353  1
  P  P266  1  0.477558  0.449707  0.645041  1
  P  P267  1  0.918441  0.777238  0.707897  1
  P  P268  1  0.959061  0.386604  0.660210  1
  P  P269  1  0.658464  0.653042  0.654945  1
  P  P270  1  0.610109  0.037557  0.702887  1
  P  P271  1  0.176955  0.709249  0.638264  1
  P  P272  1  0.121761  0.110386  0.685911  1
  P  P273  1  0.592407  0.488247  0.694418  1
  P  P274  1  0.643630  0.092663  0.646835  1
  P  P275  1  0.109207  0.674954  0.690894  1
  P  P276  1  0.144669  0.272144  0.646817  1
  P  P277  1  0.491784  0.007487  0.653693  1
  P  P278  1  0.439521  0.391038  0.701346  1
  P  P279  1  0.992085  0.819811  0.656219  1
  P  P280  1  0.938913  0.216714  0.705176  1
  P  P281  1  0.458959  0.650256  0.665862  1
  P  P282  1  0.419183  0.035483  0.713010  1
  P  P283  1  0.938818  0.577240  0.681477  1
  P  P284  1  0.986906  0.181634  0.642827  1
  P  P285  1  0.630759  0.841373  0.679724  1
  P  P286  1  0.595105  0.237633  0.721681  1
  P  P287  1  0.148562  0.911902  0.660731  1
  P  P288  1  0.094439  0.321378  0.705776  1
  P  P289  1  0.915207  0.428465  0.722656  1
  P  P290  1  0.961086  0.018024  0.681163  1
  P  P291  1  0.410391  0.593762  0.718329  1
  P  P292  1  0.463386  0.197606  0.678455  1
  P  P293  1  0.082028  0.866165  0.712756  1
  P  P294  1  0.123025  0.466791  0.664663  1
  P  P295  1  0.573387  0.689159  0.714233  1
  P  P296  1  0.617619  0.296617  0.668162  1
  P  P297  1  0.781231  0.488603  0.680628  1
  P  P298  1  0.732816  0.872600  0.726500  1
  P  P299  1  0.326960  0.808070  0.642317  1
  P  P300  1  0.275107  0.205493  0.692556  1
