# generated using pymatgen
data_FeP4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   51.22120253
_cell_length_b   20.76454363
_cell_length_c   51.58168994
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   73.31805648
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeP4
_chemical_formula_sum   'Fe216 P864'
_cell_volume   52552.5504642
_cell_formula_units_Z   216
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  0.722224  0.708340  0.318992  1
  Fe  Fe2  1  0.055557  0.708340  0.318992  1
  Fe  Fe3  1  0.712166  0.093981  0.352064  1
  Fe  Fe4  1  0.388891  0.708340  0.318992  1
  Fe  Fe5  1  0.045499  0.093981  0.352064  1
  Fe  Fe6  1  0.730286  0.321384  0.283939  1
  Fe  Fe7  1  0.378833  0.093981  0.352064  1
  Fe  Fe8  1  0.063619  0.321384  0.283939  1
  Fe  Fe9  1  0.396952  0.321384  0.283939  1
  Fe  Fe10  1  0.890075  0.711975  0.305571  1
  Fe  Fe11  1  0.223408  0.711975  0.305571  1
  Fe  Fe12  1  0.883025  0.094368  0.338790  1
  Fe  Fe13  1  0.556742  0.711975  0.305571  1
  Fe  Fe14  1  0.216358  0.094368  0.338790  1
  Fe  Fe15  1  0.873359  0.482219  0.376002  1
  Fe  Fe16  1  0.549691  0.094368  0.338790  1
  Fe  Fe17  1  0.206693  0.482219  0.376002  1
  Fe  Fe18  1  0.540026  0.482219  0.376002  1
  Fe  Fe19  1  0.625556  0.972935  0.302231  1
  Fe  Fe20  1  0.958890  0.972935  0.302231  1
  Fe  Fe21  1  0.614769  0.356597  0.332082  1
  Fe  Fe22  1  0.292223  0.972935  0.302231  1
  Fe  Fe23  1  0.948102  0.356597  0.332082  1
  Fe  Fe24  1  0.604331  0.746302  0.372517  1
  Fe  Fe25  1  0.281436  0.356597  0.332082  1
  Fe  Fe26  1  0.937665  0.746302  0.372517  1
  Fe  Fe27  1  0.270998  0.746302  0.372517  1
  Fe  Fe28  1  0.764996  0.754789  0.388656  1
  Fe  Fe29  1  0.098329  0.754789  0.388656  1
  Fe  Fe30  1  0.788503  0.964890  0.312107  1
  Fe  Fe31  1  0.431663  0.754789  0.388656  1
  Fe  Fe32  1  0.121836  0.964890  0.312107  1
  Fe  Fe33  1  0.776824  0.363958  0.348361  1
  Fe  Fe34  1  0.455169  0.964890  0.312107  1
  Fe  Fe35  1  0.110158  0.363958  0.348361  1
  Fe  Fe36  1  0.443491  0.363958  0.348361  1
  Fe  Fe37  1  0.668158  0.032807  0.326623  1
  Fe  Fe38  1  1.001492  0.032807  0.326623  1
  Fe  Fe39  1  0.657172  0.415334  0.358152  1
  Fe  Fe40  1  0.334825  0.032807  0.326623  1
  Fe  Fe41  1  0.990505  0.415334  0.358152  1
  Fe  Fe42  1  0.681256  0.651484  0.296609  1
  Fe  Fe43  1  0.323838  0.415334  0.358152  1
  Fe  Fe44  1  0.014589  0.651484  0.296609  1
  Fe  Fe45  1  0.347922  0.651484  0.296609  1
  Fe  Fe46  1  0.838739  0.843405  0.308824  1
  Fe  Fe47  1  0.172072  0.843405  0.308824  1
  Fe  Fe48  1  0.833172  0.218140  0.342704  1
  Fe  Fe49  1  0.505406  0.843405  0.308824  1
  Fe  Fe50  1  0.166505  0.218140  0.342704  1
  Fe  Fe51  1  0.822969  0.606522  0.380841  1
  Fe  Fe52  1  0.499838  0.218140  0.342704  1
  Fe  Fe53  1  0.156303  0.606522  0.380841  1
  Fe  Fe54  1  0.489636  0.606522  0.380841  1
  Fe  Fe55  1  0.693901  0.877336  0.431650  1
  Fe  Fe56  1  0.027234  0.877336  0.431650  1
  Fe  Fe57  1  0.683973  0.262539  0.466797  1
  Fe  Fe58  1  0.360568  0.877336  0.431650  1
  Fe  Fe59  1  0.017307  0.262539  0.466797  1
  Fe  Fe60  1  0.704643  0.485387  0.389594  1
  Fe  Fe61  1  0.350640  0.262539  0.466797  1
  Fe  Fe62  1  0.037976  0.485387  0.389594  1
  Fe  Fe63  1  0.371310  0.485387  0.389594  1
  Fe  Fe64  1  0.862299  0.871829  0.414590  1
  Fe  Fe65  1  0.195632  0.871829  0.414590  1
  Fe  Fe66  1  0.853208  0.258486  0.450742  1
  Fe  Fe67  1  0.528965  0.871829  0.414590  1
  Fe  Fe68  1  0.186542  0.258486  0.450742  1
  Fe  Fe69  1  0.843761  0.646338  0.488087  1
  Fe  Fe70  1  0.519875  0.258486  0.450742  1
  Fe  Fe71  1  0.177095  0.646338  0.488087  1
  Fe  Fe72  1  0.510428  0.646338  0.488087  1
  Fe  Fe73  1  0.594809  0.134267  0.409812  1
  Fe  Fe74  1  0.928142  0.134267  0.409812  1
  Fe  Fe75  1  0.585962  0.519992  0.445780  1
  Fe  Fe76  1  0.261476  0.134267  0.409812  1
  Fe  Fe77  1  0.919295  0.519992  0.445780  1
  Fe  Fe78  1  0.574989  0.910772  0.484943  1
  Fe  Fe79  1  0.252628  0.519992  0.445780  1
  Fe  Fe80  1  0.908323  0.910772  0.484943  1
  Fe  Fe81  1  0.241656  0.910772  0.484943  1
  Fe  Fe82  1  0.735485  0.918645  0.500382  1
  Fe  Fe83  1  0.068818  0.918645  0.500382  1
  Fe  Fe84  1  0.755449  0.141097  0.424234  1
  Fe  Fe85  1  0.402152  0.918645  0.500382  1
  Fe  Fe86  1  0.088782  0.141097  0.424234  1
  Fe  Fe87  1  0.746623  0.526450  0.460288  1
  Fe  Fe88  1  0.422115  0.141097  0.424234  1
  Fe  Fe89  1  0.079956  0.526450  0.460288  1
  Fe  Fe90  1  0.413289  0.526450  0.460288  1
  Fe  Fe91  1  0.637460  0.193784  0.436441  1
  Fe  Fe92  1  0.970794  0.193784  0.436441  1
  Fe  Fe93  1  0.628257  0.579547  0.470829  1
  Fe  Fe94  1  0.304127  0.193784  0.436441  1
  Fe  Fe95  1  0.961591  0.579547  0.470829  1
  Fe  Fe96  1  0.646093  0.805299  0.399416  1
  Fe  Fe97  1  0.294924  0.579547  0.470829  1
  Fe  Fe98  1  0.979427  0.805299  0.399416  1
  Fe  Fe99  1  0.312760  0.805299  0.399416  1
  Fe  Fe100  1  0.812291  0.997263  0.418384  1
  Fe  Fe101  1  0.145624  0.997263  0.418384  1
  Fe  Fe102  1  0.803579  0.383030  0.453945  1
  Fe  Fe103  1  0.478957  0.997263  0.418384  1
  Fe  Fe104  1  0.136912  0.383030  0.453945  1
  Fe  Fe105  1  0.793338  0.771565  0.492609  1
  Fe  Fe106  1  0.470246  0.383030  0.453945  1
  Fe  Fe107  1  0.126671  0.771565  0.492609  1
  Fe  Fe108  1  0.460005  0.771565  0.492609  1
  Fe  Fe109  1  0.664122  0.040975  0.543263  1
  Fe  Fe110  1  0.997455  0.040975  0.543263  1
  Fe  Fe111  1  0.655310  0.426021  0.579618  1
  Fe  Fe112  1  0.330788  0.040975  0.543263  1
  Fe  Fe113  1  0.988643  0.426021  0.579618  1
  Fe  Fe114  1  0.675167  0.649372  0.502604  1
  Fe  Fe115  1  0.321977  0.426021  0.579618  1
  Fe  Fe116  1  0.008500  0.649372  0.502604  1
  Fe  Fe117  1  0.341833  0.649372  0.502604  1
  Fe  Fe118  1  0.832936  0.035954  0.526245  1
  Fe  Fe119  1  0.166270  0.035954  0.526245  1
  Fe  Fe120  1  0.824092  0.422888  0.562848  1
  Fe  Fe121  1  0.499603  0.035954  0.526245  1
  Fe  Fe122  1  0.157425  0.422888  0.562848  1
  Fe  Fe123  1  0.813912  0.810213  0.599913  1
  Fe  Fe124  1  0.490759  0.422888  0.562848  1
  Fe  Fe125  1  0.147245  0.810213  0.599913  1
  Fe  Fe126  1  0.480578  0.810213  0.599913  1
  Fe  Fe127  1  0.565531  0.297671  0.522367  1
  Fe  Fe128  1  0.898864  0.297671  0.522367  1
  Fe  Fe129  1  0.556150  0.684851  0.557024  1
  Fe  Fe130  1  0.232198  0.297671  0.522367  1
  Fe  Fe131  1  0.889483  0.684851  0.557024  1
  Fe  Fe132  1  0.545733  0.074090  0.597516  1
  Fe  Fe133  1  0.222816  0.684851  0.557024  1
  Fe  Fe134  1  0.879066  0.074090  0.597516  1
  Fe  Fe135  1  0.212399  0.074090  0.597516  1
  Fe  Fe136  1  0.705663  0.081707  0.612572  1
  Fe  Fe137  1  0.038997  0.081707  0.612572  1
  Fe  Fe138  1  0.725942  0.304904  0.536854  1
  Fe  Fe139  1  0.372330  0.081707  0.612572  1
  Fe  Fe140  1  0.059275  0.304904  0.536854  1
  Fe  Fe141  1  0.717029  0.692681  0.572444  1
  Fe  Fe142  1  0.392609  0.304904  0.536854  1
  Fe  Fe143  1  0.050363  0.692681  0.572444  1
  Fe  Fe144  1  0.383696  0.692681  0.572444  1
  Fe  Fe145  1  0.607847  0.356953  0.547911  1
  Fe  Fe146  1  0.941180  0.356953  0.547911  1
  Fe  Fe147  1  0.598412  0.742997  0.582811  1
  Fe  Fe148  1  0.274513  0.356953  0.547911  1
  Fe  Fe149  1  0.931746  0.742997  0.582811  1
  Fe  Fe150  1  0.616966  0.969470  0.511244  1
  Fe  Fe151  1  0.265079  0.742997  0.582811  1
  Fe  Fe152  1  0.950300  0.969470  0.511244  1
  Fe  Fe153  1  0.283633  0.969470  0.511244  1
  Fe  Fe154  1  0.782912  0.160887  0.530228  1
  Fe  Fe155  1  0.116246  0.160887  0.530228  1
  Fe  Fe156  1  0.774629  0.546473  0.565957  1
  Fe  Fe157  1  0.449579  0.160887  0.530228  1
  Fe  Fe158  1  0.107962  0.546473  0.565957  1
  Fe  Fe159  1  0.763691  0.934526  0.604320  1
  Fe  Fe160  1  0.441295  0.546473  0.565957  1
  Fe  Fe161  1  0.097024  0.934526  0.604320  1
  Fe  Fe162  1  0.430357  0.934526  0.604320  1
  Fe  Fe163  1  0.635733  0.204399  0.656415  1
  Fe  Fe164  1  0.969067  0.204399  0.656415  1
  Fe  Fe165  1  0.622937  0.583864  0.685453  1
  Fe  Fe166  1  0.302400  0.204399  0.656415  1
  Fe  Fe167  1  0.956271  0.583864  0.685453  1
  Fe  Fe168  1  0.645758  0.813863  0.615027  1
  Fe  Fe169  1  0.289604  0.583864  0.685453  1
  Fe  Fe170  1  0.979091  0.813863  0.615027  1
  Fe  Fe171  1  0.312424  0.813863  0.615027  1
  Fe  Fe172  1  0.805544  0.188602  0.636825  1
  Fe  Fe173  1  0.138878  0.188602  0.636825  1
  Fe  Fe174  1  0.794342  0.586662  0.674958  1
  Fe  Fe175  1  0.472211  0.188602  0.636825  1
  Fe  Fe176  1  0.127676  0.586662  0.674958  1
  Fe  Fe177  1  0.780433  0.982796  0.706883  1
  Fe  Fe178  1  0.461009  0.586662  0.674958  1
  Fe  Fe179  1  0.113767  0.982796  0.706883  1
  Fe  Fe180  1  0.447100  0.982796  0.706883  1
  Fe  Fe181  1  0.536043  0.462020  0.635785  1
  Fe  Fe182  1  0.869376  0.462020  0.635785  1
  Fe  Fe183  1  0.526696  0.847296  0.669025  1
  Fe  Fe184  1  0.202710  0.462020  0.635785  1
  Fe  Fe185  1  0.860029  0.847296  0.669025  1
  Fe  Fe186  1  0.508784  0.238001  0.702378  1
  Fe  Fe187  1  0.193363  0.847296  0.669025  1
  Fe  Fe188  1  0.842118  0.238001  0.702378  1
  Fe  Fe189  1  0.175451  0.238001  0.702378  1
  Fe  Fe190  1  0.674663  0.252376  0.715723  1
  Fe  Fe191  1  0.007996  0.252376  0.715723  1
  Fe  Fe192  1  0.698857  0.461560  0.648931  1
  Fe  Fe193  1  0.341329  0.252376  0.715723  1
  Fe  Fe194  1  0.032190  0.461560  0.648931  1
  Fe  Fe195  1  0.686084  0.850850  0.685871  1
  Fe  Fe196  1  0.365523  0.461560  0.648931  1
  Fe  Fe197  1  0.019417  0.850850  0.685871  1
  Fe  Fe198  1  0.352751  0.850850  0.685871  1
  Fe  Fe199  1  0.580670  0.524549  0.661037  1
  Fe  Fe200  1  0.914003  0.524549  0.661037  1
  Fe  Fe201  1  0.567569  0.907846  0.690935  1
  Fe  Fe202  1  0.247336  0.524549  0.661037  1
  Fe  Fe203  1  0.900903  0.907846  0.690935  1
  Fe  Fe204  1  0.587538  0.133931  0.623400  1
  Fe  Fe205  1  0.234236  0.907846  0.690935  1
  Fe  Fe206  1  0.920872  0.133931  0.623400  1
  Fe  Fe207  1  0.254205  0.133931  0.623400  1
  Fe  Fe208  1  0.748449  0.340130  0.644325  1
  Fe  Fe209  1  0.081783  0.340130  0.644325  1
  Fe  Fe210  1  0.745251  0.706253  0.678219  1
  Fe  Fe211  1  0.415116  0.340130  0.644325  1
  Fe  Fe212  1  0.078584  0.706253  0.678219  1
  Fe  Fe213  1  0.735888  0.090009  0.711036  1
  Fe  Fe214  1  0.411917  0.706253  0.678219  1
  Fe  Fe215  1  0.069222  0.090009  0.711036  1
  Fe  Fe216  1  0.402555  0.090009  0.711036  1
  P  P217  1  0.755014  0.776658  0.310654  1
  P  P218  1  0.088347  0.776658  0.310654  1
  P  P219  1  0.745440  0.162346  0.345726  1
  P  P220  1  0.421681  0.776658  0.310654  1
  P  P221  1  0.078773  0.162346  0.345726  1
  P  P222  1  0.738576  0.544362  0.382666  1
  P  P223  1  0.412107  0.162346  0.345726  1
  P  P224  1  0.071910  0.544362  0.382666  1
  P  P225  1  0.405243  0.544362  0.382666  1
  P  P226  1  0.917270  0.601856  0.321953  1
  P  P227  1  0.250603  0.601856  0.321953  1
  P  P228  1  0.908455  0.987138  0.360865  1
  P  P229  1  0.583936  0.601856  0.321953  1
  P  P230  1  0.241789  0.987138  0.360865  1
  P  P231  1  0.931564  0.210077  0.290688  1
  P  P232  1  0.575122  0.987138  0.360865  1
  P  P233  1  0.264897  0.210077  0.290688  1
  P  P234  1  0.598231  0.210077  0.290688  1
  P  P235  1  0.591558  0.906452  0.305529  1
  P  P236  1  0.924891  0.906452  0.305529  1
  P  P237  1  0.581866  0.292224  0.342737  1
  P  P238  1  0.258225  0.906452  0.305529  1
  P  P239  1  0.915200  0.292224  0.342737  1
  P  P240  1  0.570654  0.680801  0.379480  1
  P  P241  1  0.248533  0.292224  0.342737  1
  P  P242  1  0.903987  0.680801  0.379480  1
  P  P243  1  0.237321  0.680801  0.379480  1
  P  P244  1  0.740230  0.856983  0.366383  1
  P  P245  1  0.073564  0.856983  0.366383  1
  P  P246  1  0.765095  0.077910  0.292030  1
  P  P247  1  0.406897  0.856983  0.366383  1
  P  P248  1  0.098428  0.077910  0.292030  1
  P  P249  1  0.752330  0.466176  0.325382  1
  P  P250  1  0.431761  0.077910  0.292030  1
  P  P251  1  0.085663  0.466176  0.325382  1
  P  P252  1  0.418996  0.466176  0.325382  1
  P  P253  1  0.747541  0.998206  0.340667  1
  P  P254  1  0.080875  0.998206  0.340667  1
  P  P255  1  0.737447  0.384706  0.375889  1
  P  P256  1  0.414208  0.998206  0.340667  1
  P  P257  1  0.070781  0.384706  0.375889  1
  P  P258  1  0.758128  0.616251  0.304614  1
  P  P259  1  0.404114  0.384706  0.375889  1
  P  P260  1  0.091461  0.616251  0.304614  1
  P  P261  1  0.424795  0.616251  0.304614  1
  P  P262  1  0.575514  0.146393  0.364448  1
  P  P263  1  0.908847  0.146393  0.364448  1
  P  P264  1  0.595614  0.372141  0.288430  1
  P  P265  1  0.242180  0.146393  0.364448  1
  P  P266  1  0.928947  0.372141  0.288430  1
  P  P267  1  0.584265  0.760722  0.327732  1
  P  P268  1  0.262281  0.372141  0.288430  1
  P  P269  1  0.917598  0.760722  0.327732  1
  P  P270  1  0.250932  0.760722  0.327732  1
  P  P271  1  0.859871  0.586371  0.351545  1
  P  P272  1  0.193204  0.586371  0.351545  1
  P  P273  1  0.877708  0.809196  0.277832  1
  P  P274  1  0.526538  0.586371  0.351545  1
  P  P275  1  0.211041  0.809196  0.277832  1
  P  P276  1  0.869844  0.198048  0.312222  1
  P  P277  1  0.544374  0.809196  0.277832  1
  P  P278  1  0.203177  0.198048  0.312222  1
  P  P279  1  0.536511  0.198048  0.312222  1
  P  P280  1  0.688631  0.016455  0.369334  1
  P  P281  1  0.021965  0.016455  0.369334  1
  P  P282  1  0.712349  0.237353  0.289519  1
  P  P283  1  0.355298  0.016455  0.369334  1
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