# generated using pymatgen
data_FeP4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.50052607
_cell_length_b   13.72470837
_cell_length_c   51.61054487
_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   'Fe48 P192'
_cell_volume   11687.9773093
_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  0.567728  0.272100  0.274936  1
  Fe  Fe2  1  0.577060  0.896475  0.329874  1
  Fe  Fe3  1  0.077338  1.027165  0.313916  1
  Fe  Fe4  1  0.081048  0.397123  0.266377  1
  Fe  Fe5  1  0.884498  0.897123  0.266377  1
  Fe  Fe6  1  0.888208  0.527165  0.313916  1
  Fe  Fe7  1  0.388485  0.396475  0.329874  1
  Fe  Fe8  1  0.397818  0.772100  0.274936  1
  Fe  Fe9  1  0.733148  0.897932  0.294977  1
  Fe  Fe10  1  0.738939  0.523376  0.347875  1
  Fe  Fe11  1  0.226607  1.023376  0.347875  1
  Fe  Fe12  1  0.232398  0.397932  0.294977  1
  Fe  Fe13  1  0.569758  0.520962  0.387403  1
  Fe  Fe14  1  0.570694  0.145610  0.443500  1
  Fe  Fe15  1  0.075452  0.274992  0.426090  1
  Fe  Fe16  1  0.075025  0.649742  0.369674  1
  Fe  Fe17  1  0.890520  0.149742  0.369674  1
  Fe  Fe18  1  0.890093  0.774992  0.426090  1
  Fe  Fe19  1  0.394851  0.645610  0.443500  1
  Fe  Fe20  1  0.395788  1.020962  0.387403  1
  Fe  Fe21  1  0.739535  0.148385  0.404216  1
  Fe  Fe22  1  0.738597  0.772702  0.460829  1
  Fe  Fe23  1  0.226949  0.272702  0.460829  1
  Fe  Fe24  1  0.226010  0.648385  0.404216  1
  Fe  Fe25  1  0.571215  0.770082  0.499340  1
  Fe  Fe26  1  0.570059  0.395655  0.555937  1
  Fe  Fe27  1  0.074713  0.523693  0.538482  1
  Fe  Fe28  1  0.075170  0.899571  0.482198  1
  Fe  Fe29  1  0.890376  0.399571  0.482198  1
  Fe  Fe30  1  0.890833  1.023693  0.538482  1
  Fe  Fe31  1  0.395487  0.895655  0.555937  1
  Fe  Fe32  1  0.394331  0.270082  0.499340  1
  Fe  Fe33  1  0.739940  0.397564  0.516529  1
  Fe  Fe34  1  0.732595  1.021675  0.574785  1
  Fe  Fe35  1  0.232951  0.521675  0.574785  1
  Fe  Fe36  1  0.225605  0.897564  0.516529  1
  Fe  Fe37  1  0.578994  1.018864  0.609621  1
  Fe  Fe38  1  0.581692  0.648676  0.657577  1
  Fe  Fe39  1  0.072170  0.772676  0.649679  1
  Fe  Fe40  1  0.076553  0.148206  0.594647  1
  Fe  Fe41  1  0.888993  0.648206  0.594647  1
  Fe  Fe42  1  0.893375  0.272676  0.649679  1
  Fe  Fe43  1  0.383853  0.148676  0.657577  1
  Fe  Fe44  1  0.386551  0.518864  0.609621  1
  Fe  Fe45  1  0.733191  0.646858  0.629224  1
  Fe  Fe46  1  0.747233  0.270459  0.676724  1
  Fe  Fe47  1  0.218312  0.770459  0.676724  1
  Fe  Fe48  1  0.232355  0.146858  0.629224  1
  P  P49  1  0.482617  0.151361  0.294383  1
  P  P50  1  0.481954  0.524582  0.241061  1
  P  P51  1  -0.016880  0.144463  0.293864  1
  P  P52  1  0.981866  0.768749  0.350585  1
  P  P53  1  -0.016321  0.268749  0.350585  1
  P  P54  1  0.982426  0.644463  0.293864  1
  P  P55  1  0.483592  1.024582  0.241061  1
  P  P56  1  0.482928  0.651361  0.294383  1
  P  P57  1  0.486043  0.897676  0.293415  1
  P  P58  1  0.481540  0.272729  0.237781  1
  P  P59  1  -0.014946  1.023406  0.350383  1
  P  P60  1  0.981783  0.397129  0.294905  1
  P  P61  1  0.151107  0.264101  0.273882  1
  P  P62  1  0.148008  0.891463  0.331450  1
  P  P63  1  0.649185  1.029098  0.310782  1
  P  P64  1  0.647620  0.396936  0.255034  1
  P  P65  1  0.317926  0.896936  0.255034  1
  P  P66  1  0.316360  0.529098  0.310782  1
  P  P67  1  0.817538  0.391463  0.331450  1
  P  P68  1  0.814438  0.764101  0.273882  1
  P  P69  1  0.314469  0.267785  0.311612  1
  P  P70  1  0.316665  0.650819  0.254996  1
  P  P71  1  0.814889  1.030461  0.273921  1
  P  P72  1  0.815842  0.655908  0.330627  1
  P  P73  1  0.149703  0.155908  0.330627  1
  P  P74  1  0.150657  0.530461  0.273921  1
  P  P75  1  0.648881  0.150819  0.254996  1
  P  P76  1  0.651077  0.767785  0.311612  1
  P  P77  1  0.150890  0.402077  0.331825  1
  P  P78  1  0.152590  0.776953  0.275932  1
  P  P79  1  0.652468  0.896572  0.256529  1
  P  P80  1  0.649996  0.518087  0.311965  1
  P  P81  1  0.315550  1.018087  0.311965  1
  P  P82  1  0.313078  0.396572  0.256529  1
  P  P83  1  0.812956  0.276953  0.275932  1
  P  P84  1  0.814655  0.902077  0.331825  1
  P  P85  1  0.649572  0.275741  0.311931  1
  P  P86  1  0.646724  0.646887  0.256803  1
  P  P87  1  0.150385  1.019081  0.275429  1
  P  P88  1  0.148936  0.644140  0.331273  1
  P  P89  1  0.816610  0.144140  0.331273  1
  P  P90  1  0.815160  0.519081  0.275429  1
  P  P91  1  0.318822  0.146887  0.256803  1
  P  P92  1  0.315974  0.775741  0.311931  1
  P  P93  1  0.484005  0.772729  0.237781  1
  P  P94  1  0.479503  0.397676  0.293415  1
  P  P95  1  -0.016238  0.897129  0.294905  1
  P  P96  1  0.980491  0.523406  0.350383  1
  P  P97  1  0.481041  0.401013  0.405521  1
  P  P98  1  0.482930  0.777521  0.349421  1
  P  P99  1  0.982083  0.394013  0.406956  1
  P  P100  1  0.981713  1.018671  0.463296  1
  P  P101  1  -0.016167  0.518671  0.463296  1
  P  P102  1  -0.016537  0.894013  0.406956  1
  P  P103  1  0.482616  0.277521  0.349421  1
  P  P104  1  0.484505  0.901013  0.405521  1
  P  P105  1  0.484977  0.148491  0.405196  1
  P  P106  1  0.483130  0.522268  0.349282  1
  P  P107  1  -0.015137  0.272942  0.463157  1
  P  P108  1  -0.015460  0.648239  0.406881  1
  P  P109  1  0.146419  0.517101  0.387815  1
  P  P110  1  0.146837  0.141287  0.443848  1
  P  P111  1  0.648502  0.275058  0.423473  1
  P  P112  1  0.648205  0.649435  0.367208  1
  P  P113  1  0.317341  0.149435  0.367208  1
  P  P114  1  0.317043  0.775058  0.423473  1
  P  P115  1  0.818708  0.641287  0.443848  1
  P  P116  1  0.819127  1.017101  0.387815  1
  P  P117  1  0.314327  0.521193  0.423996  1
  P  P118  1  0.315273  0.896583  0.367965  1
  P  P119  1  0.816212  0.279364  0.387110  1
  P  P120  1  0.815882  0.904023  0.443555  1
  P  P121  1  0.149664  0.404023  0.443555  1
  P  P122  1  0.149334  0.779364  0.387110  1
  P  P123  1  0.650273  0.396583  0.367965  1
  P  P124  1  0.651218  1.021193  0.423996  1
  P  P125  1  0.150196  0.651830  0.442871  1
  P  P126  1  0.150471  1.026932  0.386519  1
  P  P127  1  0.651567  0.144703  0.368392  1
  P  P128  1  0.650999  0.768959  0.424659  1
  P  P129  1  0.314547  0.268959  0.424659  1
  P  P130  1  0.313979  0.644703  0.368392  1
  P  P131  1  0.815074  0.526932  0.386519  1
  P  P132  1  0.815350  0.151830  0.442871  1
  P  P133  1  0.650885  0.524721  0.423584  1
  P  P134  1  0.650868  0.899919  0.367545  1
  P  P135  1  0.150267  0.269304  0.388141  1
  P  P136  1  0.149855  0.894686  0.444134  1
  P  P137  1  0.815691  0.394686  0.444134  1
  P  P138  1  0.815279  0.769304  0.388141  1
  P  P139  1  0.314677  0.399919  0.367545  1
  P  P140  1  0.314661  1.024721  0.423584  1
  P  P141  1  0.482415  1.022268  0.349282  1
  P  P142  1  0.480569  0.648491  0.405196  1
  P  P143  1  0.981005  0.148239  0.406881  1
  P  P144  1  0.980682  0.772942  0.463157  1
  P  P145  1  0.481173  0.650625  0.517444  1
  P  P146  1  0.481134  1.025873  0.461353  1
  P  P147  1  0.981932  0.643111  0.519376  1
  P  P148  1  -0.016880  0.267648  0.575176  1
  P  P149  1  0.982426  0.767648  0.575176  1
  P  P150  1  -0.016386  0.143111  0.519376  1
  P  P151  1  0.484412  0.525873  0.461353  1
  P  P152  1  0.484373  0.150625  0.517444  1
  P  P153  1  0.484544  0.397645  0.517439  1
  P  P154  1  0.484687  0.772959  0.461371  1
  P  P155  1  -0.015844  0.522467  0.575549  1
  P  P156  1  -0.015361  0.897459  0.519410  1
  P  P157  1  0.146568  0.765729  0.500108  1
  P  P158  1  0.147965  0.392516  0.556778  1
  P  P159  1  0.648002  0.523942  0.535562  1
  P  P160  1  0.648134  0.900256  0.479570  1
  P  P161  1  0.317411  0.400256  0.479570  1
  P  P162  1  0.317544  1.023942  0.535562  1
  P  P163  1  0.817580  0.892516  0.556778  1
  P  P164  1  0.818978  0.265729  0.500108  1
  P  P165  1  0.314440  0.771212  0.536434  1
  P  P166  1  0.314414  0.145071  0.480132  1
  P  P167  1  0.816207  0.528997  0.499671  1
  P  P168  1  0.815431  0.150852  0.555892  1
  P  P169  1  0.150114  0.650852  0.555892  1
  P  P170  1  0.149338  1.028997  0.499671  1
  P  P171  1  0.651131  0.645071  0.480132  1
  P  P172  1  0.651105  0.271212  0.536434  1
  P  P173  1  0.150911  0.901386  0.555387  1
  P  P174  1  0.150182  0.276608  0.499207  1
  P  P175  1  0.651249  0.393566  0.480728  1
  P  P176  1  0.651146  1.018526  0.537040  1
  P  P177  1  0.314400  0.518526  0.537040  1
  P  P178  1  0.314297  0.893566  0.480728  1
  P  P179  1  0.815363  0.776608  0.499207  1
  P  P180  1  0.814635  0.401386  0.555387  1
  P  P181  1  0.650954  0.774420  0.535632  1
  P  P182  1  0.650974  0.149500  0.479826  1
  P  P183  1  0.150386  0.518935  0.500590  1
  P  P184  1  0.150140  0.144225  0.556636  1
  P  P185  1  0.815405  0.644225  0.556636  1
  P  P186  1  0.815160  1.018935  0.500590  1
  P  P187  1  0.314572  0.649500  0.479826  1
  P  P188  1  0.314591  0.274420  0.535632  1
  P  P189  1  0.480858  0.272959  0.461371  1
  P  P190  1  0.481002  0.897645  0.517439  1
  P  P191  1  0.980907  0.397459  0.519410  1
  P  P192  1  0.981389  1.022467  0.575549  1
  P  P193  1  0.484619  0.901612  0.629680  1
  P  P194  1  0.481070  0.275449  0.573617  1
  P  P195  1  -0.016380  0.893319  0.630733  1
  P  P196  1  0.982084  0.520027  0.684762  1
  P  P197  1  -0.016538  1.020027  0.684762  1
  P  P198  1  0.981926  0.393319  0.630733  1
  P  P199  1  0.484476  0.775449  0.573617  1
  P  P200  1  0.480927  0.401612  0.629680  1
  P  P201  1  0.483137  0.646504  0.628778  1
  P  P202  1  0.485960  1.022757  0.573511  1
  P  P203  1  -0.014091  0.771776  0.687111  1
  P  P204  1  -0.014384  0.147466  0.631542  1
  P  P205  1  0.149200  1.015770  0.613361  1
  P  P206  1  0.146545  0.637785  0.669888  1
  P  P207  1  0.651320  0.781484  0.649620  1
  P  P208  1  0.649281  0.153006  0.591980  1
  P  P209  1  0.316264  0.653006  0.591980  1
  P  P210  1  0.314226  0.281484  0.649620  1
  P  P211  1  0.819001  0.137785  0.669888  1
  P  P212  1  0.816345  0.515770  0.613361  1
  P  P213  1  0.314936  1.014865  0.650273  1
  P  P214  1  0.314296  0.390440  0.592886  1
  P  P215  1  0.815143  0.777150  0.612473  1
  P  P216  1  0.817473  0.404663  0.670066  1
  P  P217  1  0.148073  0.904663  0.670066  1
  P  P218  1  0.150403  0.277150  0.612473  1
  P  P219  1  0.651250  0.890440  0.592886  1
  P  P220  1  0.650609  0.514865  0.650273  1
  P  P221  1  0.151809  0.151256  0.667821  1
  P  P222  1  0.149680  0.526702  0.612134  1
  P  P223  1  0.651558  0.642636  0.591903  1
  P  P224  1  0.648687  0.268641  0.648369  1
  P  P225  1  0.316859  0.768641  0.648369  1
  P  P226  1  0.313987  0.142636  0.591903  1
  P  P227  1  0.815866  1.026702  0.612134  1
  P  P228  1  0.813736  0.651256  0.667821  1
  P  P229  1  0.651135  1.026366  0.648320  1
  P  P230  1  0.649212  0.401371  0.592742  1
  P  P231  1  0.148186  0.769301  0.611449  1
  P  P232  1  0.145531  0.393919  0.667648  1
  P  P233  1  0.820015  0.893919  0.667648  1
  P  P234  1  0.817360  0.269301  0.611449  1
  P  P235  1  0.316333  0.901371  0.592742  1
  P  P236  1  0.314411  0.526366  0.648320  1
  P  P237  1  0.479586  0.522757  0.573511  1
  P  P238  1  0.482409  0.146504  0.628778  1
  P  P239  1  0.979929  0.647466  0.631542  1
  P  P240  1  0.979637  0.271776  0.687111  1
