# generated using pymatgen
data_FeP4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.74589971
_cell_length_b   28.61361740
_cell_length_c   53.55750867
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.31849217
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeP4
_chemical_formula_sum   'Fe48 P192'
_cell_volume   10337.7566076
_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  0.469400  0.403443  0.329933  1
  Fe  Fe2  1  0.464677  0.957635  0.414437  1
  Fe  Fe3  1  0.966649  0.243140  0.272155  1
  Fe  Fe4  1  0.959642  0.795299  0.348332  1
  Fe  Fe5  1  0.693786  0.376752  0.377805  1
  Fe  Fe6  1  0.723836  0.816965  0.299607  1
  Fe  Fe7  1  0.202897  0.316240  0.296237  1
  Fe  Fe8  1  0.193074  0.870203  0.378892  1
  Fe  Fe9  1  0.961335  0.621657  0.291743  1
  Fe  Fe10  1  0.966243  0.180454  0.372825  1
  Fe  Fe11  1  0.465095  0.571349  0.393710  1
  Fe  Fe12  1  0.468087  0.016099  0.307361  1
  Fe  Fe13  1  0.201398  0.598802  0.337520  1
  Fe  Fe14  1  0.227571  0.035661  0.264497  1
  Fe  Fe15  1  0.745554  0.546440  0.264417  1
  Fe  Fe16  1  0.698560  0.092218  0.336774  1
  Fe  Fe17  1  0.457245  0.512208  0.498312  1
  Fe  Fe18  1  0.451533  0.066936  0.581689  1
  Fe  Fe19  1  0.962388  0.348634  0.434400  1
  Fe  Fe20  1  0.957697  0.903334  0.518545  1
  Fe  Fe21  1  0.680362  0.485876  0.545615  1
  Fe  Fe22  1  0.688304  0.931240  0.461751  1
  Fe  Fe23  1  0.186295  0.424386  0.463148  1
  Fe  Fe24  1  0.182386  0.979124  0.546762  1
  Fe  Fe25  1  0.960990  0.735025  0.456324  1
  Fe  Fe26  1  0.954463  0.289617  0.539194  1
  Fe  Fe27  1  0.453950  0.680904  0.560564  1
  Fe  Fe28  1  0.459565  0.125812  0.476324  1
  Fe  Fe29  1  0.184752  0.708749  0.503719  1
  Fe  Fe30  1  0.190538  0.153309  0.419645  1
  Fe  Fe31  1  0.690827  0.647051  0.421354  1
  Fe  Fe32  1  0.683888  0.201763  0.504399  1
  Fe  Fe33  1  0.442011  0.620928  0.664997  1
  Fe  Fe34  1  0.403012  0.168254  0.737716  1
  Fe  Fe35  1  0.946818  0.457656  0.602091  1
  Fe  Fe36  1  0.953529  0.013407  0.686296  1
  Fe  Fe37  1  0.674366  0.589267  0.707847  1
  Fe  Fe38  1  0.679613  0.039817  0.628390  1
  Fe  Fe39  1  0.174645  0.533198  0.630045  1
  Fe  Fe40  1  0.185935  0.091826  0.710074  1
  Fe  Fe41  1  0.952205  0.844664  0.623748  1
  Fe  Fe42  1  0.930896  0.399244  0.705405  1
  Fe  Fe43  1  0.423331  0.787305  0.718503  1
  Fe  Fe44  1  0.447451  0.236299  0.642898  1
  Fe  Fe45  1  0.187220  0.816526  0.673928  1
  Fe  Fe46  1  0.175938  0.263514  0.586838  1
  Fe  Fe47  1  0.677906  0.756491  0.588767  1
  Fe  Fe48  1  0.667188  0.310709  0.672765  1
  P  P49  1  0.952849  0.429602  0.369648  1
  P  P50  1  0.964390  0.873543  0.286559  1
  P  P51  1  0.455498  0.264705  0.307243  1
  P  P52  1  0.448624  0.819243  0.390730  1
  P  P53  1  0.950454  0.319063  0.390537  1
  P  P54  1  0.966724  0.760325  0.307332  1
  P  P55  1  0.957227  0.263526  0.311563  1
  P  P56  1  0.952752  0.816874  0.392317  1
  P  P57  1  0.457017  0.320848  0.390872  1
  P  P58  1  0.469386  0.762740  0.308482  1
  P  P59  1  0.715148  0.182920  0.275847  1
  P  P60  1  0.707027  0.737963  0.360367  1
  P  P61  1  0.711969  0.676677  0.276215  1
  P  P62  1  0.704996  0.234763  0.360951  1
  P  P63  1  0.456396  0.376363  0.285555  1
  P  P64  1  0.455244  0.930125  0.370395  1
  P  P65  1  0.208528  0.348610  0.339254  1
  P  P66  1  0.220544  0.790910  0.259093  1
  P  P67  1  0.202485  0.676319  0.275593  1
  P  P68  1  0.210817  0.235343  0.360409  1
  P  P69  1  0.966246  0.375522  0.286616  1
  P  P70  1  0.962165  0.929077  0.370545  1
  P  P71  1  0.205148  0.183026  0.275367  1
  P  P72  1  0.205981  0.737210  0.360450  1
  P  P73  1  0.718505  0.291958  0.257035  1
  P  P74  1  0.708653  0.849343  0.339954  1
  P  P75  1  0.453325  0.433894  0.370677  1
  P  P76  1  0.475670  0.874990  0.285851  1
  P  P77  1  0.706294  0.345802  0.337040  1
  P  P78  1  0.718044  0.789638  0.256502  1
  P  P79  1  0.212242  0.291850  0.253184  1
  P  P80  1  0.215367  0.846110  0.336645  1
  P  P81  1  0.451685  0.653278  0.328780  1
  P  P82  1  0.449061  0.206277  0.411765  1
  P  P83  1  0.974580  0.490856  0.264744  1
  P  P84  1  0.952167  0.040687  0.348185  1
  P  P85  1  0.454230  0.540793  0.350490  1
  P  P86  1  0.474673  0.984383  0.263989  1
  P  P87  1  0.488780  0.489576  0.265104  1
  P  P88  1  0.458055  0.038863  0.350273  1
  P  P89  1  0.968981  0.541696  0.350663  1
  P  P90  1  0.975881  0.986038  0.266288  1
  P  P91  1  0.205099  0.514516  0.402670  1
  P  P92  1  0.219453  0.957039  0.318429  1
  P  P93  1  0.217087  0.459242  0.317145  1
  P  P94  1  0.205608  0.011875  0.401930  1
  P  P95  1  0.949187  0.707131  0.412263  1
  P  P96  1  0.953827  0.153636  0.328658  1
  P  P97  1  0.712149  0.570343  0.302831  1
  P  P98  1  0.706910  0.123926  0.381031  1
  P  P99  1  0.715497  0.457701  0.318086  1
  P  P100  1  0.707610  0.012523  0.401779  1
  P  P101  1  0.457109  0.706264  0.412840  1
  P  P102  1  0.465352  0.152503  0.328600  1
  P  P103  1  0.706900  0.513624  0.402265  1
  P  P104  1  0.714252  0.959340  0.317017  1
  P  P105  1  0.207205  0.625401  0.381947  1
  P  P106  1  0.210820  0.073114  0.299885  1
  P  P107  1  0.957579  0.656447  0.330035  1
  P  P108  1  0.951183  0.210987  0.412728  1
  P  P109  1  0.227028  0.569393  0.296086  1
  P  P110  1  0.207068  0.121786  0.378839  1
  P  P111  1  0.707247  0.624142  0.378978  1
  P  P112  1  0.715805  0.071201  0.293828  1
  P  P113  1  0.938912  0.538754  0.537456  1
  P  P114  1  0.947276  0.983998  0.453483  1
  P  P115  1  0.443584  0.373621  0.474113  1
  P  P116  1  0.439472  0.928265  0.558156  1
  P  P117  1  0.936946  0.427945  0.558374  1
  P  P118  1  0.945690  0.873584  0.474718  1
  P  P119  1  0.944956  0.371312  0.476367  1
  P  P120  1  0.942172  0.925824  0.560461  1
  P  P121  1  0.444744  0.429476  0.558611  1
  P  P122  1  0.452823  0.875011  0.474789  1
  P  P123  1  0.700329  0.292294  0.443033  1
  P  P124  1  0.695748  0.846976  0.527321  1
  P  P125  1  0.701977  0.789319  0.443960  1
  P  P126  1  0.693664  0.343711  0.527436  1
  P  P127  1  0.446831  0.484371  0.454221  1
  P  P128  1  0.441388  0.039120  0.537390  1
  P  P129  1  0.196882  0.456313  0.507064  1
  P  P130  1  0.204381  0.901732  0.423098  1
  P  P131  1  0.202918  0.789959  0.443697  1
  P  P132  1  0.196265  0.344613  0.527092  1
  P  P133  1  0.952955  0.483423  0.454867  1
  P  P134  1  0.948723  0.038132  0.538056  1
  P  P135  1  0.202691  0.291300  0.443046  1
  P  P136  1  0.198246  0.845927  0.527206  1
  P  P137  1  0.703921  0.402668  0.422832  1
  P  P138  1  0.699162  0.957163  0.506730  1
  P  P139  1  0.441282  0.543273  0.538467  1
  P  P140  1  0.448676  0.988399  0.454507  1
  P  P141  1  0.696580  0.454109  0.505115  1
  P  P142  1  0.705379  0.899606  0.421170  1
  P  P143  1  0.203339  0.402077  0.420713  1
  P  P144  1  0.199093  0.956578  0.504445  1
  P  P145  1  0.443574  0.761548  0.495404  1
  P  P146  1  0.435026  0.315962  0.578744  1
  P  P147  1  0.947380  0.596322  0.432861  1
  P  P148  1  0.940935  0.150974  0.515866  1
  P  P149  1  0.441979  0.651069  0.516609  1
  P  P150  1  0.448148  0.095927  0.432608  1
  P  P151  1  0.449952  0.594041  0.435262  1
  P  P152  1  0.442755  0.148590  0.518121  1
  P  P153  1  0.948710  0.652559  0.516737  1
  P  P154  1  0.955353  0.097485  0.432788  1
  P  P155  1  0.191453  0.624613  0.568888  1
  P  P156  1  0.198177  0.069425  0.485212  1
  P  P157  1  0.197774  0.566455  0.486215  1
  P  P158  1  0.192429  0.121021  0.569243  1
  P  P159  1  0.938848  0.816511  0.579463  1
  P  P160  1  0.942969  0.261922  0.495057  1
  P  P161  1  0.700880  0.679190  0.465199  1
  P  P162  1  0.693182  0.233878  0.547991  1
  P  P163  1  0.700163  0.567197  0.485882  1
  P  P164  1  0.693918  0.121838  0.568843  1
  P  P165  1  0.444775  0.815556  0.580218  1
  P  P166  1  0.450007  0.260912  0.495729  1
  P  P167  1  0.693550  0.623619  0.569066  1
  P  P168  1  0.700443  0.068413  0.485162  1
  P  P169  1  0.195602  0.734734  0.548618  1
  P  P170  1  0.200768  0.179679  0.464617  1
  P  P171  1  0.945129  0.765982  0.496492  1
  P  P172  1  0.936050  0.320424  0.579664  1
  P  P173  1  0.200773  0.677024  0.463185  1
  P  P174  1  0.193506  0.231762  0.546045  1
  P  P175  1  0.695008  0.734178  0.546438  1
  P  P176  1  0.700977  0.179066  0.462324  1
  P  P177  1  0.920773  0.647378  0.705502  1
  P  P178  1  0.935923  0.093446  0.620186  1
  P  P179  1  0.428604  0.481926  0.641383  1
  P  P180  1  0.437509  0.040158  0.724763  1
  P  P181  1  0.920146  0.536856  0.725158  1
  P  P182  1  0.935950  0.981945  0.641932  1
  P  P183  1  0.933003  0.479375  0.643666  1
  P  P184  1  0.943950  0.040447  0.728575  1
  P  P185  1  0.433577  0.539113  0.725274  1
  P  P186  1  0.443027  0.983890  0.641797  1
  P  P187  1  0.685772  0.400990  0.610941  1
  P  P188  1  0.691133  0.957821  0.694388  1
  P  P189  1  0.691746  0.898343  0.611658  1
  P  P190  1  0.679180  0.452556  0.694836  1
  P  P191  1  0.431383  0.593807  0.620699  1
  P  P192  1  0.433684  0.147600  0.698793  1
  P  P193  1  0.181208  0.564905  0.673737  1
  P  P194  1  0.193101  0.010933  0.590573  1
  P  P195  1  0.193599  0.898758  0.611558  1
  P  P196  1  0.180592  0.454290  0.694410  1
  P  P197  1  0.941884  0.592618  0.621219  1
  P  P198  1  0.927658  0.146025  0.704123  1
  P  P199  1  0.188406  0.399853  0.610757  1
  P  P200  1  0.192031  0.956586  0.694595  1
  P  P201  1  0.689571  0.511738  0.590520  1
  P  P202  1  0.692569  0.065457  0.672908  1
  P  P203  1  0.427862  0.649509  0.707178  1
  P  P204  1  0.438725  0.098321  0.621758  1
  P  P205  1  0.683860  0.561302  0.669782  1
  P  P206  1  0.693073  0.008807  0.588296  1
  P  P207  1  0.189730  0.510835  0.587913  1
  P  P208  1  0.188299  0.065063  0.670141  1
  P  P209  1  0.435717  0.871074  0.663183  1
  P  P210  1  0.428614  0.425755  0.743950  1
  P  P211  1  0.936112  0.705978  0.600056  1
  P  P212  1  0.922682  0.259539  0.684370  1
  P  P213  1  0.435345  0.756110  0.681163  1
  P  P214  1  0.433946  0.205871  0.599251  1
  P  P215  1  0.435495  0.703766  0.602685  1
  P  P216  1  0.419999  0.259238  0.685355  1
  P  P217  1  0.933609  0.761846  0.683985  1
  P  P218  1  0.940345  0.207443  0.599173  1
  P  P219  1  0.179909  0.736785  0.735353  1
  P  P220  1  0.180893  0.180131  0.651181  1
  P  P221  1  0.181542  0.674252  0.654050  1
  P  P222  1  0.170556  0.223391  0.737397  1
  P  P223  1  0.931874  0.929847  0.744622  1
  P  P224  1  0.928839  0.369795  0.663104  1
  P  P225  1  0.692437  0.788830  0.632391  1
  P  P226  1  0.679173  0.340562  0.716852  1
  P  P227  1  0.689058  0.674967  0.652653  1
  P  P228  1  0.661977  0.225072  0.736575  1
  P  P229  1  0.436459  0.928620  0.745078  1
  P  P230  1  0.433223  0.369852  0.664552  1
  P  P231  1  0.671896  0.736528  0.736237  1
  P  P232  1  0.690781  0.179304  0.650921  1
  P  P233  1  0.179196  0.845572  0.716923  1
  P  P234  1  0.185068  0.289353  0.631805  1
  P  P235  1  0.937384  0.874056  0.664924  1
  P  P236  1  0.930289  0.426073  0.746983  1
  P  P237  1  0.188786  0.786973  0.631225  1
  P  P238  1  0.172948  0.341729  0.715947  1
  P  P239  1  0.673726  0.843978  0.715230  1
  P  P240  1  0.686258  0.289144  0.629855  1
