# generated using pymatgen
data_FeP4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.36628204
_cell_length_b   24.40044823
_cell_length_c   56.31875417
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   89.19675218
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeP4
_chemical_formula_sum   'Fe48 P192'
_cell_volume   12869.90659
_cell_formula_units_Z   48
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  0.657835  0.767616  0.393851  1
  Fe  Fe2  1  0.653705  0.995200  0.331373  1
  Fe  Fe3  1  0.654987  0.537414  0.460969  1
  Fe  Fe4  1  0.156850  0.959231  0.409037  1
  Fe  Fe5  1  0.156336  0.190904  0.343404  1
  Fe  Fe6  1  0.154694  0.727967  0.476513  1
  Fe  Fe7  1  0.880251  0.750555  0.432185  1
  Fe  Fe8  1  0.887355  0.981854  0.364848  1
  Fe  Fe9  1  0.878133  0.519951  0.499318  1
  Fe  Fe10  1  0.380733  0.870240  0.401332  1
  Fe  Fe11  1  0.380837  0.101624  0.337870  1
  Fe  Fe12  1  0.379599  0.639762  0.468754  1
  Fe  Fe13  1  0.654987  0.037414  0.460969  1
  Fe  Fe14  1  0.657835  0.267616  0.393851  1
  Fe  Fe15  1  0.653705  0.495200  0.331373  1
  Fe  Fe16  1  0.156336  0.690904  0.343404  1
  Fe  Fe17  1  0.154694  0.227967  0.476513  1
  Fe  Fe18  1  0.156850  0.459231  0.409037  1
  Fe  Fe19  1  0.878133  0.019951  0.499318  1
  Fe  Fe20  1  0.880251  0.250555  0.432185  1
  Fe  Fe21  1  0.887355  0.481854  0.364848  1
  Fe  Fe22  1  0.380837  0.601624  0.337870  1
  Fe  Fe23  1  0.379599  0.139762  0.468754  1
  Fe  Fe24  1  0.380733  0.370240  0.401332  1
  Fe  Fe25  1  0.653563  0.075340  0.595227  1
  Fe  Fe26  1  0.653037  0.306428  0.527865  1
  Fe  Fe27  1  0.620130  0.853850  0.656241  1
  Fe  Fe28  1  0.148607  0.266607  0.611334  1
  Fe  Fe29  1  0.153137  0.497180  0.543295  1
  Fe  Fe30  1  0.126168  0.043926  0.670638  1
  Fe  Fe31  1  0.886990  0.058424  0.636099  1
  Fe  Fe32  1  0.874536  0.288713  0.566803  1
  Fe  Fe33  1  0.755855  0.786183  0.679539  1
  Fe  Fe34  1  0.374208  0.178767  0.602497  1
  Fe  Fe35  1  0.377376  0.408658  0.535357  1
  Fe  Fe36  1  0.400073  0.939872  0.662997  1
  Fe  Fe37  1  0.620130  0.353850  0.656241  1
  Fe  Fe38  1  0.653563  0.575340  0.595227  1
  Fe  Fe39  1  0.653037  0.806428  0.527865  1
  Fe  Fe40  1  0.153137  0.997180  0.543295  1
  Fe  Fe41  1  0.126168  0.543926  0.670638  1
  Fe  Fe42  1  0.148607  0.766607  0.611334  1
  Fe  Fe43  1  0.755855  0.286183  0.679539  1
  Fe  Fe44  1  0.886990  0.558424  0.636099  1
  Fe  Fe45  1  0.874536  0.788713  0.566803  1
  Fe  Fe46  1  0.377376  0.908658  0.535357  1
  Fe  Fe47  1  0.400073  0.439872  0.662997  1
  Fe  Fe48  1  0.374208  0.678767  0.602497  1
  P  P49  1  0.894874  0.886496  0.359202  1
  P  P50  1  0.888712  0.424715  0.493047  1
  P  P51  1  0.890925  0.655542  0.425974  1
  P  P52  1  0.390732  0.847079  0.442210  1
  P  P53  1  0.392034  0.077672  0.375953  1
  P  P54  1  0.393945  0.308892  0.310388  1
  P  P55  1  0.892808  0.963379  0.408770  1
  P  P56  1  0.895896  0.192907  0.342030  1
  P  P57  1  0.889615  0.732195  0.475966  1
  P  P58  1  0.400649  0.964089  0.411020  1
  P  P59  1  0.407490  0.194675  0.343154  1
  P  P60  1  0.400442  0.733489  0.477566  1
  P  P61  1  0.893652  0.844582  0.442409  1
  P  P62  1  0.897663  0.075558  0.374741  1
  P  P63  1  0.902858  0.305624  0.310910  1
  P  P64  1  0.143247  0.826154  0.483894  1
  P  P65  1  0.144332  0.057124  0.416795  1
  P  P66  1  0.151784  0.288720  0.350674  1
  P  P67  1  0.643315  0.828410  0.485541  1
  P  P68  1  0.646320  0.059784  0.418825  1
  P  P69  1  0.645922  0.291465  0.351777  1
  P  P70  1  0.393289  0.770114  0.392316  1
  P  P71  1  0.397060  0.003126  0.323682  1
  P  P72  1  0.389709  0.539958  0.459411  1
  P  P73  1  0.647977  0.865593  0.401312  1
  P  P74  1  0.646033  0.094718  0.332729  1
  P  P75  1  0.646410  0.634966  0.468404  1
  P  P76  1  0.644217  0.942855  0.451699  1
  P  P77  1  0.647066  0.173009  0.384253  1
  P  P78  1  0.648163  0.405030  0.317364  1
  P  P79  1  0.396285  0.886173  0.359841  1
  P  P80  1  0.392956  0.423284  0.493903  1
  P  P81  1  0.394927  0.654259  0.427060  1
  P  P82  1  0.142436  0.941585  0.450914  1
  P  P83  1  0.143808  0.172656  0.384114  1
  P  P84  1  0.143909  0.402655  0.318545  1
  P  P85  1  0.147246  0.749837  0.434439  1
  P  P86  1  0.151049  0.981035  0.366745  1
  P  P87  1  0.159267  0.210565  0.301808  1
  P  P88  1  0.902600  0.768092  0.391029  1
  P  P89  1  0.897794  0.998614  0.322712  1
  P  P90  1  0.901192  0.537213  0.458341  1
  P  P91  1  0.632214  0.750587  0.434887  1
  P  P92  1  0.632714  0.981534  0.369668  1
  P  P93  1  0.642396  0.215846  0.302702  1
  P  P94  1  0.133510  0.865164  0.400654  1
  P  P95  1  0.137067  0.095079  0.332448  1
  P  P96  1  0.131099  0.634198  0.467519  1
  P  P97  1  0.888712  0.924715  0.493047  1
  P  P98  1  0.890925  0.155542  0.425974  1
  P  P99  1  0.894874  0.386496  0.359202  1
  P  P100  1  0.393945  0.808892  0.310388  1
  P  P101  1  0.390732  0.347079  0.442210  1
  P  P102  1  0.392034  0.577672  0.375953  1
  P  P103  1  0.895896  0.692907  0.342030  1
  P  P104  1  0.889615  0.232195  0.475966  1
  P  P105  1  0.892808  0.463379  0.408770  1
  P  P106  1  0.407490  0.694675  0.343154  1
  P  P107  1  0.400442  0.233489  0.477566  1
  P  P108  1  0.400649  0.464089  0.411020  1
  P  P109  1  0.902858  0.805624  0.310910  1
  P  P110  1  0.893652  0.344582  0.442409  1
  P  P111  1  0.897663  0.575558  0.374741  1
  P  P112  1  0.151784  0.788720  0.350674  1
  P  P113  1  0.143247  0.326154  0.483894  1
  P  P114  1  0.144332  0.557124  0.416795  1
  P  P115  1  0.645922  0.791465  0.351777  1
  P  P116  1  0.643315  0.328410  0.485541  1
  P  P117  1  0.646320  0.559784  0.418825  1
  P  P118  1  0.389709  0.039958  0.459411  1
  P  P119  1  0.393289  0.270114  0.392316  1
  P  P120  1  0.397060  0.503126  0.323682  1
  P  P121  1  0.646033  0.594718  0.332729  1
  P  P122  1  0.646410  0.134966  0.468404  1
  P  P123  1  0.647977  0.365593  0.401312  1
  P  P124  1  0.647066  0.673009  0.384253  1
  P  P125  1  0.648163  0.905030  0.317364  1
  P  P126  1  0.644217  0.442855  0.451699  1
  P  P127  1  0.392956  0.923284  0.493903  1
  P  P128  1  0.394927  0.154259  0.427060  1
  P  P129  1  0.396285  0.386173  0.359841  1
  P  P130  1  0.143808  0.672656  0.384114  1
  P  P131  1  0.143909  0.902655  0.318545  1
  P  P132  1  0.142436  0.441585  0.450914  1
  P  P133  1  0.159267  0.710565  0.301808  1
  P  P134  1  0.147246  0.249837  0.434439  1
  P  P135  1  0.151049  0.481035  0.366745  1
  P  P136  1  0.901192  0.037213  0.458341  1
  P  P137  1  0.902600  0.268092  0.391029  1
  P  P138  1  0.897794  0.498614  0.322712  1
  P  P139  1  0.642396  0.715846  0.302702  1
  P  P140  1  0.632214  0.250587  0.434887  1
  P  P141  1  0.632714  0.481534  0.369668  1
  P  P142  1  0.137067  0.595079  0.332448  1
  P  P143  1  0.131099  0.134198  0.467519  1
  P  P144  1  0.133510  0.365164  0.400654  1
  P  P145  1  0.887181  0.194006  0.560346  1
  P  P146  1  0.889055  0.723448  0.696508  1
  P  P147  1  0.884539  0.962888  0.628077  1
  P  P148  1  0.383859  0.152947  0.642896  1
  P  P149  1  0.385473  0.385143  0.575989  1
  P  P150  1  0.388046  0.616408  0.509465  1
  P  P151  1  0.885036  0.271434  0.611044  1
  P  P152  1  0.887794  0.501505  0.542934  1
  P  P153  1  0.882502  0.041062  0.679169  1
  P  P154  1  0.391120  0.272724  0.611435  1
  P  P155  1  0.399000  0.502318  0.544660  1
  P  P156  1  0.387218  0.034510  0.678724  1
  P  P157  1  0.884727  0.153808  0.644009  1
  P  P158  1  0.892325  0.382779  0.576433  1
  P  P159  1  0.892676  0.613974  0.509494  1
  P  P160  1  0.141408  0.130380  0.685401  1
  P  P161  1  0.139632  0.364857  0.619121  1
  P  P162  1  0.140114  0.595212  0.551329  1
  P  P163  1  0.632465  0.135560  0.684308  1
  P  P164  1  0.641739  0.367021  0.617887  1
  P  P165  1  0.643254  0.597771  0.552461  1
  P  P166  1  0.389863  0.078819  0.592579  1
  P  P167  1  0.387615  0.308719  0.526362  1
  P  P168  1  0.377095  0.844731  0.662987  1
  P  P169  1  0.642402  0.172758  0.602194  1
  P  P170  1  0.644654  0.403794  0.535356  1
  P  P171  1  0.646247  0.941154  0.671600  1
  P  P172  1  0.627068  0.249632  0.651325  1
  P  P173  1  0.644220  0.481232  0.585733  1
  P  P174  1  0.641565  0.711795  0.518841  1
  P  P175  1  0.389208  0.193035  0.560998  1
  P  P176  1  0.389123  0.727879  0.692617  1
  P  P177  1  0.390564  0.962545  0.625465  1
  P  P178  1  0.134919  0.247086  0.652637  1
  P  P179  1  0.136264  0.479043  0.584557  1
  P  P180  1  0.140636  0.710774  0.518034  1
  P  P181  1  0.146567  0.058078  0.632572  1
  P  P182  1  0.141352  0.288459  0.568840  1
  P  P183  1  0.145591  0.519056  0.501493  1
  P  P184  1  0.895669  0.075287  0.593158  1
  P  P185  1  0.898612  0.306096  0.525382  1
  P  P186  1  0.892807  0.845750  0.661034  1
  P  P187  1  0.630676  0.057061  0.636486  1
  P  P188  1  0.627926  0.288575  0.569005  1
  P  P189  1  0.629656  0.520087  0.502001  1
  P  P190  1  0.125204  0.173148  0.601697  1
  P  P191  1  0.128910  0.403112  0.534259  1
  P  P192  1  0.136919  0.945785  0.669177  1
  P  P193  1  0.889055  0.223448  0.696508  1
  P  P194  1  0.884539  0.462888  0.628077  1
  P  P195  1  0.887181  0.694006  0.560346  1
  P  P196  1  0.388046  0.116408  0.509465  1
  P  P197  1  0.383859  0.652947  0.642896  1
  P  P198  1  0.385473  0.885143  0.575989  1
  P  P199  1  0.887794  0.001505  0.542934  1
  P  P200  1  0.882502  0.541062  0.679169  1
  P  P201  1  0.885036  0.771434  0.611044  1
  P  P202  1  0.399000  0.002318  0.544660  1
  P  P203  1  0.387218  0.534510  0.678724  1
  P  P204  1  0.391120  0.772724  0.611435  1
  P  P205  1  0.892676  0.113974  0.509494  1
  P  P206  1  0.884727  0.653808  0.644009  1
  P  P207  1  0.892325  0.882779  0.576433  1
  P  P208  1  0.140114  0.095212  0.551329  1
  P  P209  1  0.141408  0.630380  0.685401  1
  P  P210  1  0.139632  0.864857  0.619121  1
  P  P211  1  0.643254  0.097771  0.552461  1
  P  P212  1  0.632465  0.635560  0.684308  1
  P  P213  1  0.641739  0.867021  0.617887  1
  P  P214  1  0.377095  0.344731  0.662987  1
  P  P215  1  0.389863  0.578819  0.592579  1
  P  P216  1  0.387615  0.808719  0.526362  1
  P  P217  1  0.644654  0.903794  0.535356  1
  P  P218  1  0.646247  0.441154  0.671600  1
  P  P219  1  0.642402  0.672758  0.602194  1
  P  P220  1  0.644220  0.981232  0.585733  1
  P  P221  1  0.641565  0.211795  0.518841  1
  P  P222  1  0.627068  0.749632  0.651325  1
  P  P223  1  0.389123  0.227879  0.692617  1
  P  P224  1  0.390564  0.462545  0.625465  1
  P  P225  1  0.389208  0.693035  0.560998  1
  P  P226  1  0.136264  0.979043  0.584557  1
  P  P227  1  0.140636  0.210774  0.518034  1
  P  P228  1  0.134919  0.747086  0.652637  1
  P  P229  1  0.145591  0.019056  0.501493  1
  P  P230  1  0.146567  0.558078  0.632572  1
  P  P231  1  0.141352  0.788459  0.568840  1
  P  P232  1  0.892807  0.345750  0.661034  1
  P  P233  1  0.895669  0.575287  0.593158  1
  P  P234  1  0.898612  0.806096  0.525382  1
  P  P235  1  0.629656  0.020087  0.502001  1
  P  P236  1  0.630676  0.557061  0.636486  1
  P  P237  1  0.627926  0.788575  0.569005  1
  P  P238  1  0.128910  0.903112  0.534259  1
  P  P239  1  0.136919  0.445785  0.669177  1
  P  P240  1  0.125204  0.673148  0.601697  1
