# generated using pymatgen
data_FeP4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.49157723
_cell_length_b   22.47513776
_cell_length_c   51.18869267
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeP4
_chemical_formula_sum   'Fe72 P288'
_cell_volume   15521.6942504
_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  0.372599  0.931274  0.384388  1
  Fe  Fe2  1  0.368325  0.481653  0.283418  1
  Fe  Fe3  1  0.377465  0.204698  0.329235  1
  Fe  Fe4  1  0.125382  0.704698  0.329235  1
  Fe  Fe5  1  0.130248  0.431274  0.384388  1
  Fe  Fe6  1  0.134522  0.981653  0.283418  1
  Fe  Fe7  1  0.252625  0.953743  0.331711  1
  Fe  Fe8  1  0.258791  0.680779  0.390449  1
  Fe  Fe9  1  0.255667  0.232041  0.283508  1
  Fe  Fe10  1  0.247181  0.732041  0.283508  1
  Fe  Fe11  1  0.250222  0.453743  0.331711  1
  Fe  Fe12  1  0.244056  0.180779  0.390449  1
  Fe  Fe13  1  0.873436  0.795299  0.413096  1
  Fe  Fe14  1  0.875435  0.338235  0.302488  1
  Fe  Fe15  1  0.872247  0.068678  0.357027  1
  Fe  Fe16  1  0.627412  0.838235  0.302488  1
  Fe  Fe17  1  0.630600  0.568678  0.357027  1
  Fe  Fe18  1  0.629411  0.295299  0.413096  1
  Fe  Fe19  1  0.759073  0.816207  0.362669  1
  Fe  Fe20  1  0.753962  0.359560  0.258214  1
  Fe  Fe21  1  0.756851  0.088127  0.306299  1
  Fe  Fe22  1  0.748885  0.859560  0.258214  1
  Fe  Fe23  1  0.745996  0.588127  0.306299  1
  Fe  Fe24  1  0.743774  0.316207  0.362669  1
  Fe  Fe25  1  0.373699  0.113432  0.552264  1
  Fe  Fe26  1  0.373635  0.658913  0.440552  1
  Fe  Fe27  1  0.373471  0.386203  0.496347  1
  Fe  Fe28  1  0.129377  0.886203  0.496347  1
  Fe  Fe29  1  0.129149  0.613432  0.552264  1
  Fe  Fe30  1  0.129212  0.158913  0.440552  1
  Fe  Fe31  1  0.259027  0.133961  0.501671  1
  Fe  Fe32  1  0.258858  0.861462  0.557419  1
  Fe  Fe33  1  0.258784  0.406467  0.445638  1
  Fe  Fe34  1  0.244063  0.906467  0.445638  1
  Fe  Fe35  1  0.243820  0.633961  0.501671  1
  Fe  Fe36  1  0.243989  0.361462  0.557419  1
  Fe  Fe37  1  0.873821  0.977019  0.579769  1
  Fe  Fe38  1  0.873850  0.522421  0.468452  1
  Fe  Fe39  1  0.873881  0.249629  0.524195  1
  Fe  Fe40  1  0.628997  0.022421  0.468452  1
  Fe  Fe41  1  0.628966  0.749629  0.524195  1
  Fe  Fe42  1  0.629026  0.477019  0.579769  1
  Fe  Fe43  1  0.758912  0.997464  0.529453  1
  Fe  Fe44  1  0.758704  0.542984  0.418035  1
  Fe  Fe45  1  0.758977  0.270222  0.473862  1
  Fe  Fe46  1  0.744143  0.042984  0.418035  1
  Fe  Fe47  1  0.743871  0.770222  0.473862  1
  Fe  Fe48  1  0.743935  0.497464  0.529453  1
  Fe  Fe49  1  0.371332  0.287844  0.715117  1
  Fe  Fe50  1  0.374091  0.840453  0.607505  1
  Fe  Fe51  1  0.369353  0.567257  0.666354  1
  Fe  Fe52  1  0.133494  0.067257  0.666354  1
  Fe  Fe53  1  0.131515  0.787844  0.715117  1
  Fe  Fe54  1  0.128756  0.340453  0.607505  1
  Fe  Fe55  1  0.255753  0.315343  0.668299  1
  Fe  Fe56  1  0.247711  0.039261  0.714234  1
  Fe  Fe57  1  0.258168  0.588576  0.612693  1
  Fe  Fe58  1  0.244680  0.088576  0.612693  1
  Fe  Fe59  1  0.247095  0.815343  0.668299  1
  Fe  Fe60  1  0.255136  0.539261  0.714234  1
  Fe  Fe61  1  0.870230  0.168502  0.740633  1
  Fe  Fe62  1  0.872644  0.704231  0.635752  1
  Fe  Fe63  1  0.872390  0.431662  0.691507  1
  Fe  Fe64  1  0.630203  0.204231  0.635752  1
  Fe  Fe65  1  0.630458  0.931662  0.691507  1
  Fe  Fe66  1  0.632618  0.668502  0.740633  1
  Fe  Fe67  1  0.756738  0.182056  0.695478  1
  Fe  Fe68  1  0.757971  0.724404  0.585207  1
  Fe  Fe69  1  0.757549  0.451539  0.641143  1
  Fe  Fe70  1  0.744877  0.224404  0.585207  1
  Fe  Fe71  1  0.745299  0.951539  0.641143  1
  Fe  Fe72  1  0.746110  0.682056  0.695478  1
  P  P73  1  0.375922  0.749025  0.374428  1
  P  P74  1  0.372939  0.291415  0.262543  1
  P  P75  1  0.376129  0.022375  0.318238  1
  P  P76  1  0.129908  0.791415  0.262543  1
  P  P77  1  0.126719  0.522375  0.318238  1
  P  P78  1  0.126926  0.249025  0.374428  1
  P  P79  1  0.124439  0.748224  0.374195  1
  P  P80  1  0.127339  0.290098  0.262949  1
  P  P81  1  0.125229  0.026528  0.321368  1
  P  P82  1  0.122918  0.656901  0.287471  1
  P  P83  1  0.120430  0.385820  0.343779  1
  P  P84  1  0.120366  0.110668  0.399998  1
  P  P85  1  0.127425  0.886877  0.345440  1
  P  P86  1  0.128891  0.613566  0.400924  1
  P  P87  1  0.134016  0.157873  0.289576  1
  P  P88  1  0.008766  0.908864  0.288936  1
  P  P89  1  0.003244  0.635555  0.344340  1
  P  P90  1  0.005902  0.362583  0.401159  1
  P  P91  1  0.995863  0.998865  0.373959  1
  P  P92  1  0.993396  0.543915  0.264118  1
  P  P93  1  0.998997  0.271766  0.317014  1
  P  P94  1  0.375508  0.790098  0.262949  1
  P  P95  1  0.377618  0.526528  0.321368  1
  P  P96  1  0.378408  0.248224  0.374195  1
  P  P97  1  0.250015  0.862404  0.400297  1
  P  P98  1  0.248035  0.406285  0.288638  1
  P  P99  1  0.252869  0.136553  0.345559  1
  P  P100  1  0.999465  0.863128  0.401542  1
  P  P101  1  0.997935  0.408352  0.288321  1
  P  P102  1  0.998150  0.138090  0.345475  1
  P  P103  1  0.368831  0.657873  0.289576  1
  P  P104  1  0.375422  0.386877  0.345440  1
  P  P105  1  0.373957  0.113566  0.400924  1
  P  P106  1  1.000355  0.772731  0.317180  1
  P  P107  1  0.004139  0.499940  0.373399  1
  P  P108  1  0.008065  0.042718  0.262767  1
  P  P109  1  0.254813  0.906285  0.288638  1
  P  P110  1  0.249978  0.636553  0.345559  1
  P  P111  1  0.252832  0.362404  0.400297  1
  P  P112  1  0.382417  0.885820  0.343779  1
  P  P113  1  0.382482  0.610668  0.399998  1
  P  P114  1  0.379929  0.156901  0.287471  1
  P  P115  1  0.249607  1.000403  0.374749  1
  P  P116  1  0.248707  0.539645  0.263014  1
  P  P117  1  0.249979  0.276525  0.321611  1
  P  P118  1  0.252868  0.776525  0.321611  1
  P  P119  1  0.253241  0.500403  0.374749  1
  P  P120  1  0.254140  0.039645  0.263014  1
  P  P121  1  0.875942  0.883931  0.346688  1
  P  P122  1  0.875343  0.611645  0.401989  1
  P  P123  1  0.877014  0.157241  0.289929  1
  P  P124  1  0.625833  0.657241  0.289929  1
  P  P125  1  0.626905  0.383931  0.346688  1
  P  P126  1  0.627505  0.111645  0.401989  1
  P  P127  1  0.625139  0.883802  0.346522  1
  P  P128  1  0.627083  0.611891  0.401920  1
  P  P129  1  0.629824  0.156792  0.289719  1
  P  P130  1  0.624975  0.792034  0.259584  1
  P  P131  1  0.619445  0.520560  0.317367  1
  P  P132  1  0.620280  0.246674  0.372851  1
  P  P133  1  0.629296  0.749806  0.373559  1
  P  P134  1  0.629231  0.296190  0.261703  1
  P  P135  1  0.628522  0.021549  0.318437  1
  P  P136  1  0.503850  0.771766  0.317014  1
  P  P137  1  0.506984  0.498865  0.373959  1
  P  P138  1  0.509451  0.043915  0.264118  1
  P  P139  1  0.496945  0.862583  0.401159  1
  P  P140  1  0.494081  0.408864  0.288936  1
  P  P141  1  0.499603  0.135555  0.344340  1
  P  P142  1  0.873023  0.656792  0.289719  1
  P  P143  1  0.877709  0.383802  0.346522  1
  P  P144  1  0.875764  0.111891  0.401920  1
  P  P145  1  0.750201  0.998191  0.373067  1
  P  P146  1  0.748387  0.541731  0.263054  1
  P  P147  1  0.751718  0.269113  0.318278  1
  P  P148  1  0.498708  0.999940  0.373399  1
  P  P149  1  0.494782  0.542718  0.262767  1
  P  P150  1  0.502492  0.272731  0.317180  1
  P  P151  1  0.873616  0.796190  0.261703  1
  P  P152  1  0.874326  0.521549  0.318437  1
  P  P153  1  0.873551  0.249806  0.373559  1
  P  P154  1  0.504913  0.908352  0.288321  1
  P  P155  1  0.504697  0.638090  0.345475  1
  P  P156  1  0.503382  0.363128  0.401542  1
  P  P157  1  0.751129  0.769113  0.318278  1
  P  P158  1  0.752646  0.498191  0.373067  1
  P  P159  1  0.754460  0.041731  0.263054  1
  P  P160  1  0.882567  0.746674  0.372851  1
  P  P161  1  0.877873  0.292034  0.259584  1
  P  P162  1  0.883402  0.020560  0.317367  1
  P  P163  1  0.748552  0.864584  0.403248  1
  P  P164  1  0.747733  0.411465  0.294054  1
  P  P165  1  0.748611  0.136904  0.347068  1
  P  P166  1  0.755114  0.911465  0.294054  1
  P  P167  1  0.754236  0.636904  0.347068  1
  P  P168  1  0.754295  0.364584  0.403248  1
  P  P169  1  0.375165  0.929960  0.541431  1
  P  P170  1  0.374904  0.475490  0.429899  1
  P  P171  1  0.375244  0.202653  0.485821  1
  P  P172  1  0.127943  0.975490  0.429899  1
  P  P173  1  0.127603  0.702653  0.485821  1
  P  P174  1  0.127683  0.429960  0.541431  1
  P  P175  1  0.126850  0.929842  0.541204  1
  P  P176  1  0.127120  0.475309  0.429579  1
  P  P177  1  0.126923  0.202537  0.485462  1
  P  P178  1  0.120114  0.837921  0.456075  1
  P  P179  1  0.119940  0.565177  0.511795  1
  P  P180  1  0.119898  0.292264  0.567411  1
  P  P181  1  0.129669  0.067755  0.512411  1
  P  P182  1  0.129463  0.795302  0.568213  1
  P  P183  1  0.129827  0.340406  0.456629  1
  P  P184  1  0.005313  0.089417  0.456679  1
  P  P185  1  0.005259  0.816669  0.512585  1
  P  P186  1  0.004637  0.543991  0.568125  1
  P  P187  1  0.997813  0.180174  0.540515  1
  P  P188  1  0.997437  0.725777  0.429305  1
  P  P189  1  0.998106  0.453049  0.484678  1
  P  P190  1  0.375727  0.975309  0.429579  1
  P  P191  1  0.375924  0.702537  0.485462  1
  P  P192  1  0.375998  0.429842  0.541204  1
  P  P193  1  0.250574  0.044033  0.567912  1
  P  P194  1  0.250345  0.589804  0.456416  1
  P  P195  1  0.250420  0.316945  0.512230  1
  P  P196  1  1.000179  0.044576  0.568300  1
  P  P197  1  0.999902  0.590214  0.456873  1
  P  P198  1  0.999968  0.317499  0.512617  1
  P  P199  1  0.373020  0.840406  0.456629  1
  P  P200  1  0.373178  0.567755  0.512411  1
  P  P201  1  0.373384  0.295302  0.568213  1
  P  P202  1  0.003283  0.953892  0.484773  1
  P  P203  1  0.002916  0.681149  0.540608  1
  P  P204  1  0.003108  0.226629  0.429154  1
  P  P205  1  0.252502  0.089804  0.456416  1
  P  P206  1  0.252427  0.816945  0.512230  1
  P  P207  1  0.252273  0.544033  0.567912  1
  P  P208  1  0.382907  0.065177  0.511795  1
  P  P209  1  0.382949  0.792264  0.567411  1
  P  P210  1  0.382733  0.337921  0.456075  1
  P  P211  1  0.248855  0.182682  0.542463  1
  P  P212  1  0.248465  0.728425  0.430856  1
  P  P213  1  0.248748  0.455495  0.486459  1
  P  P214  1  0.254099  0.955495  0.486459  1
  P  P215  1  0.253992  0.682682  0.542463  1
  P  P216  1  0.254382  0.228425  0.430856  1
  P  P217  1  0.875512  0.066081  0.513460  1
  P  P218  1  0.875063  0.793325  0.569157  1
  P  P219  1  0.875549  0.338928  0.457889  1
  P  P220  1  0.627298  0.838928  0.457889  1
  P  P221  1  0.627335  0.566081  0.513460  1
  P  P222  1  0.627784  0.293325  0.569157  1
  P  P223  1  0.626772  0.066117  0.513252  1
  P  P224  1  0.626754  0.793305  0.568973  1
  P  P225  1  0.626831  0.338905  0.457818  1
  P  P226  1  0.619505  0.974252  0.428220  1
  P  P227  1  0.619693  0.701257  0.483996  1
  P  P228  1  0.619741  0.428518  0.539643  1
  P  P229  1  0.629611  0.931215  0.540334  1
  P  P230  1  0.629948  0.476744  0.429197  1
  P  P231  1  0.629567  0.203960  0.484789  1
  P  P232  1  0.504741  0.953049  0.484678  1
  P  P233  1  0.505035  0.680174  0.540515  1
  P  P234  1  0.505410  0.225777  0.429305  1
  P  P235  1  0.498210  0.043991  0.568125  1
  P  P236  1  0.497534  0.589417  0.456679  1
  P  P237  1  0.497588  0.316669  0.512585  1
  P  P238  1  0.876016  0.838905  0.457818  1
  P  P239  1  0.876076  0.566117  0.513252  1
  P  P240  1  0.876093  0.293305  0.568973  1
  P  P241  1  0.750846  0.180224  0.540133  1
  P  P242  1  0.750506  0.725826  0.428860  1
  P  P243  1  0.750817  0.453103  0.484411  1
  P  P244  1  0.499931  0.181149  0.540608  1
  P  P245  1  0.499739  0.726629  0.429154  1
  P  P246  1  0.499564  0.453892  0.484773  1
  P  P247  1  0.872899  0.976744  0.429197  1
  P  P248  1  0.873281  0.703960  0.484789  1
  P  P249  1  0.873236  0.431215  0.540334  1
  P  P250  1  0.502945  0.090214  0.456873  1
  P  P251  1  0.502879  0.817499  0.512617  1
  P  P252  1  0.502668  0.544576  0.568300  1
  P  P253  1  0.752030  0.953103  0.484411  1
  P  P254  1  0.752001  0.680224  0.540133  1
  P  P255  1  0.752341  0.225826  0.428860  1
  P  P256  1  0.883106  0.928518  0.539643  1
  P  P257  1  0.883342  0.474252  0.428220  1
  P  P258  1  0.883154  0.201257  0.483996  1
  P  P259  1  0.749194  0.046309  0.569985  1
  P  P260  1  0.748968  0.591814  0.458700  1
  P  P261  1  0.748944  0.318974  0.514445  1
  P  P262  1  0.753880  0.091814  0.458700  1
  P  P263  1  0.753904  0.818974  0.514445  1
  P  P264  1  0.753653  0.546309  0.569985  1
  P  P265  1  0.372201  0.112014  0.708352  1
  P  P266  1  0.375801  0.656676  0.597343  1
  P  P267  1  0.376469  0.382669  0.652638  1
  P  P268  1  0.127046  0.156676  0.597343  1
  P  P269  1  0.126378  0.882669  0.652638  1
  P  P270  1  0.130646  0.612014  0.708352  1
  P  P271  1  0.125139  0.114216  0.709752  1
  P  P272  1  0.125843  0.657361  0.597042  1
  P  P273  1  0.124766  0.382549  0.652477  1
  P  P274  1  0.119859  0.020528  0.623638  1
  P  P275  1  0.120254  0.744017  0.676938  1
  P  P276  1  0.127404  0.480895  0.735146  1
  P  P277  1  0.127300  0.248704  0.679978  1
  P  P278  1  0.126603  0.980437  0.734606  1
  P  P279  1  0.127601  0.522675  0.623560  1
  P  P280  1  0.004803  0.270480  0.623804  1
  P  P281  1  0.004285  0.997144  0.679458  1
  P  P282  1  0.006625  0.726962  0.735450  1
  P  P283  1  1.001191  0.363984  0.708139  1
  P  P284  1  0.997644  0.907822  0.596357  1
  P  P285  1  0.995370  0.633939  0.652289  1
  P  P286  1  0.377004  0.157361  0.597042  1
  P  P287  1  0.378082  0.882549  0.652477  1
  P  P288  1  0.377709  0.614216  0.709752  1
  P  P289  1  0.252723  0.229324  0.735111  1
  P  P290  1  0.251419  0.771010  0.623410  1
  P  P291  1  0.248957  0.493100  0.676477  1
  P  P292  1  0.996600  0.229696  0.736512  1
  P  P293  1  0.998658  0.771901  0.623764  1
  P  P294  1  1.000192  0.499143  0.680034  1
  P  P295  1  0.375247  0.022675  0.623560  1
  P  P296  1  0.375547  0.748704  0.679978  1
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  P  P298  1  0.003969  0.134534  0.652946  1
  P  P299  1  0.006817  0.860428  0.708793  1
  P  P300  1  0.002607  0.408136  0.596081  1
  P  P301  1  0.251428  0.271010  0.623410  1
  P  P302  1  0.253890  0.993100  0.676477  1
  P  P303  1  0.250124  0.729324  0.735111  1
  P  P304  1  0.382593  0.244017  0.676938  1
  P  P305  1  0.375443  0.980895  0.735146  1
  P  P306  1  0.382988  0.520528  0.623638  1
  P  P307  1  0.249848  0.364262  0.709998  1
  P  P308  1  0.248985  0.910349  0.598312  1
  P  P309  1  0.249992  0.636761  0.653310  1
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  P  P311  1  0.252999  0.864262  0.709998  1
  P  P312  1  0.253862  0.410349  0.598312  1
  P  P313  1  0.875632  0.249939  0.679706  1
  P  P314  1  0.874386  0.972453  0.733406  1
  P  P315  1  0.874897  0.520532  0.624747  1
  P  P316  1  0.627951  0.020532  0.624747  1
  P  P317  1  0.627215  0.749939  0.679706  1
  P  P318  1  0.628461  0.472453  0.733406  1
  P  P319  1  0.626368  0.248354  0.680521  1
  P  P320  1  0.628076  0.974671  0.735117  1
  P  P321  1  0.626710  0.520606  0.624584  1
  P  P322  1  0.620601  0.155690  0.595477  1
  P  P323  1  0.619782  0.883707  0.651162  1
  P  P324  1  0.620714  0.608414  0.707216  1
  P  P325  1  0.629541  0.113586  0.708672  1
  P  P326  1  0.628966  0.658269  0.596295  1
  P  P327  1  0.629522  0.385516  0.652569  1
  P  P328  1  0.507477  0.133939  0.652289  1
  P  P329  1  0.501656  0.863984  0.708139  1
  P  P330  1  0.505203  0.407822  0.596357  1
  P  P331  1  0.496223  0.226962  0.735450  1
  P  P332  1  0.498045  0.770480  0.623804  1
  P  P333  1  0.498562  0.497144  0.679458  1
  P  P334  1  0.876138  0.020606  0.624584  1
  P  P335  1  0.876480  0.748354  0.680521  1
  P  P336  1  0.874771  0.474671  0.735117  1
  P  P337  1  0.753700  0.361695  0.707165  1
  P  P338  1  0.751077  0.907655  0.595896  1
  P  P339  1  0.749349  0.635382  0.651743  1
  P  P340  1  0.496031  0.360428  0.708793  1
  P  P341  1  0.500240  0.908136  0.596081  1
  P  P342  1  0.498879  0.634534  0.652946  1
  P  P343  1  0.873881  0.158269  0.596295  1
  P  P344  1  0.873325  0.885516  0.652569  1
  P  P345  1  0.873306  0.613586  0.708672  1
  P  P346  1  0.504190  0.271901  0.623764  1
  P  P347  1  0.502655  0.999143  0.680034  1
  P  P348  1  0.506248  0.729696  0.736512  1
  P  P349  1  0.753498  0.135382  0.651743  1
  P  P350  1  0.749147  0.861695  0.707165  1
  P  P351  1  0.751771  0.407655  0.595896  1
  P  P352  1  0.882134  0.108414  0.707216  1
  P  P353  1  0.882246  0.655690  0.595477  1
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  P  P355  1  0.743676  0.231116  0.738281  1
  P  P356  1  0.749197  0.774006  0.625674  1
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  P  P358  1  0.753651  0.274006  0.625674  1
  P  P359  1  0.752420  0.002266  0.680680  1
  P  P360  1  0.759172  0.731116  0.738281  1
