# generated using pymatgen
data_FeP4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.67863064
_cell_length_b   21.41293141
_cell_length_c   51.79189991
_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   10733.7601144
_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  0.122182  0.869901  0.260838  1
  Fe  Fe2  1  0.120977  0.172597  0.302055  1
  Fe  Fe3  1  0.122814  0.472065  0.342244  1
  Fe  Fe4  1  0.381807  0.972065  0.342244  1
  Fe  Fe5  1  0.382439  0.369901  0.260838  1
  Fe  Fe6  1  0.383644  0.672597  0.302055  1
  Fe  Fe7  1  0.619494  0.822263  0.321197  1
  Fe  Fe8  1  0.622277  0.121585  0.363367  1
  Fe  Fe9  1  0.619823  0.522538  0.280196  1
  Fe  Fe10  1  0.884798  0.022538  0.280196  1
  Fe  Fe11  1  0.885127  0.322263  0.321197  1
  Fe  Fe12  1  0.882344  0.621585  0.363367  1
  Fe  Fe13  1  0.123895  0.771485  0.384412  1
  Fe  Fe14  1  0.123813  0.071281  0.426152  1
  Fe  Fe15  1  0.123737  0.371205  0.467847  1
  Fe  Fe16  1  0.380883  0.871205  0.467847  1
  Fe  Fe17  1  0.380726  0.271485  0.384412  1
  Fe  Fe18  1  0.380807  0.571281  0.426152  1
  Fe  Fe19  1  0.623679  0.721250  0.446988  1
  Fe  Fe20  1  0.623683  0.021113  0.488709  1
  Fe  Fe21  1  0.624043  0.421391  0.405154  1
  Fe  Fe22  1  0.880578  0.921391  0.405154  1
  Fe  Fe23  1  0.880942  0.221250  0.446988  1
  Fe  Fe24  1  0.880937  0.521113  0.488709  1
  Fe  Fe25  1  0.123683  0.671077  0.509582  1
  Fe  Fe26  1  0.123679  0.970940  0.551303  1
  Fe  Fe27  1  0.124043  0.270799  0.593137  1
  Fe  Fe28  1  0.380578  0.770799  0.593137  1
  Fe  Fe29  1  0.380937  0.171077  0.509582  1
  Fe  Fe30  1  0.380942  0.470940  0.551303  1
  Fe  Fe31  1  0.623813  0.620909  0.572138  1
  Fe  Fe32  1  0.623895  0.920705  0.613879  1
  Fe  Fe33  1  0.623737  0.320985  0.530443  1
  Fe  Fe34  1  0.880883  0.820985  0.530443  1
  Fe  Fe35  1  0.880807  0.120909  0.572138  1
  Fe  Fe36  1  0.880726  0.420705  0.613879  1
  Fe  Fe37  1  0.122277  0.570605  0.634923  1
  Fe  Fe38  1  0.119494  0.869927  0.677094  1
  Fe  Fe39  1  0.119823  0.169651  0.718094  1
  Fe  Fe40  1  0.384798  0.669651  0.718094  1
  Fe  Fe41  1  0.382344  0.070605  0.634923  1
  Fe  Fe42  1  0.385127  0.369927  0.677094  1
  Fe  Fe43  1  0.620977  0.519593  0.696236  1
  Fe  Fe44  1  0.622182  0.822289  0.737453  1
  Fe  Fe45  1  0.622814  0.220125  0.656047  1
  Fe  Fe46  1  0.881807  0.720125  0.656047  1
  Fe  Fe47  1  0.883644  0.019593  0.696236  1
  Fe  Fe48  1  0.882439  0.322289  0.737453  1
  P  P49  1  0.752622  0.900274  0.332593  1
  P  P50  1  0.742091  0.292459  0.252751  1
  P  P51  1  0.754674  0.600038  0.291173  1
  P  P52  1  0.989636  0.797303  0.352502  1
  P  P53  1  0.994848  0.196114  0.268468  1
  P  P54  1  0.990638  0.497278  0.309896  1
  P  P55  1  0.248450  0.750579  0.311640  1
  P  P56  1  0.250011  0.050267  0.353605  1
  P  P57  1  0.252439  0.449656  0.269864  1
  P  P58  1  0.014244  0.947087  0.373046  1
  P  P59  1  0.012283  0.346830  0.287882  1
  P  P60  1  0.014067  0.647476  0.330909  1
  P  P61  1  0.251401  0.892912  0.331704  1
  P  P62  1  0.249603  0.192835  0.373448  1
  P  P63  1  0.251808  0.594553  0.289884  1
  P  P64  1  0.753838  0.042754  0.352579  1
  P  P65  1  0.750079  0.443083  0.268813  1
  P  P66  1  0.752922  0.742717  0.311952  1
  P  P67  1  0.014451  0.996368  0.312532  1
  P  P68  1  0.014336  0.296113  0.353849  1
  P  P69  1  0.012133  0.698065  0.270942  1
  P  P70  1  0.989448  0.846793  0.292824  1
  P  P71  1  0.988849  0.145420  0.333803  1
  P  P72  1  0.991366  0.549829  0.251935  1
  P  P73  1  0.252182  0.949656  0.269864  1
  P  P74  1  0.256171  0.250579  0.311640  1
  P  P75  1  0.254609  0.550267  0.353605  1
  P  P76  1  0.492338  0.846830  0.287882  1
  P  P77  1  0.490553  0.147476  0.330909  1
  P  P78  1  0.490376  0.447087  0.373046  1
  P  P79  1  0.762530  0.792459  0.252751  1
  P  P80  1  0.749946  0.100038  0.291173  1
  P  P81  1  0.751999  0.400274  0.332593  1
  P  P82  1  0.513982  0.997278  0.309896  1
  P  P83  1  0.514984  0.297303  0.352502  1
  P  P84  1  0.509773  0.696114  0.268468  1
  P  P85  1  0.754542  0.943083  0.268813  1
  P  P86  1  0.751699  0.242717  0.311952  1
  P  P87  1  0.750782  0.542754  0.352579  1
  P  P88  1  0.252812  0.094553  0.289884  1
  P  P89  1  0.253220  0.392912  0.331704  1
  P  P90  1  0.255017  0.692835  0.373448  1
  P  P91  1  0.513254  0.049829  0.251935  1
  P  P92  1  0.515173  0.346793  0.292824  1
  P  P93  1  0.515771  0.645420  0.333803  1
  P  P94  1  0.490285  0.796113  0.353849  1
  P  P95  1  0.492487  0.198065  0.270942  1
  P  P96  1  0.490169  0.496368  0.312532  1
  P  P97  1  0.755162  0.799930  0.457902  1
  P  P98  1  0.754499  0.199855  0.374786  1
  P  P99  1  0.755708  0.499961  0.416177  1
  P  P100  1  0.990237  0.696912  0.477499  1
  P  P101  1  0.989831  0.096832  0.394137  1
  P  P102  1  0.990448  0.397001  0.435728  1
  P  P103  1  0.249345  0.649956  0.437091  1
  P  P104  1  0.249210  0.949797  0.478797  1
  P  P105  1  0.249230  0.350175  0.395318  1
  P  P106  1  0.014228  0.846833  0.498334  1
  P  P107  1  0.014372  0.246977  0.414870  1
  P  P108  1  0.014450  0.546918  0.456624  1
  P  P109  1  0.249321  0.792594  0.456890  1
  P  P110  1  0.249354  0.092449  0.498611  1
  P  P111  1  0.249431  0.492685  0.415105  1
  P  P112  1  0.755194  0.942478  0.477741  1
  P  P113  1  0.755970  0.342874  0.394173  1
  P  P114  1  0.755439  0.642582  0.436102  1
  P  P115  1  0.014100  0.895643  0.437268  1
  P  P116  1  0.014372  0.195431  0.479079  1
  P  P117  1  0.014481  0.595814  0.395632  1
  P  P118  1  0.990451  0.745794  0.416544  1
  P  P119  1  0.990171  0.045440  0.458215  1
  P  P120  1  0.991314  0.446018  0.374658  1
  P  P121  1  0.255391  0.850175  0.395318  1
  P  P122  1  0.255276  0.149956  0.437091  1
  P  P123  1  0.255411  0.449797  0.478797  1
  P  P124  1  0.490249  0.746977  0.414870  1
  P  P125  1  0.490171  0.046918  0.456624  1
  P  P126  1  0.490393  0.346833  0.498334  1
  P  P127  1  0.750122  0.699855  0.374786  1
  P  P128  1  0.748913  0.999961  0.416177  1
  P  P129  1  0.749458  0.299930  0.457902  1
  P  P130  1  0.514173  0.897001  0.435728  1
  P  P131  1  0.514384  0.196912  0.477499  1
  P  P132  1  0.514790  0.596832  0.394137  1
  P  P133  1  0.748650  0.842874  0.394173  1
  P  P134  1  0.749182  0.142582  0.436102  1
  P  P135  1  0.749427  0.442478  0.477741  1
  P  P136  1  0.255190  0.992685  0.415105  1
  P  P137  1  0.255299  0.292594  0.456890  1
  P  P138  1  0.255267  0.592449  0.498611  1
  P  P139  1  0.513307  0.946018  0.374658  1
  P  P140  1  0.514170  0.245794  0.416544  1
  P  P141  1  0.514450  0.545440  0.458215  1
  P  P142  1  0.490249  0.695431  0.479079  1
  P  P143  1  0.490139  0.095814  0.395632  1
  P  P144  1  0.490520  0.395643  0.437268  1
  P  P145  1  0.755190  0.699505  0.583186  1
  P  P146  1  0.755267  0.099741  0.499679  1
  P  P147  1  0.755299  0.399595  0.541401  1
  P  P148  1  0.990139  0.596376  0.602659  1
  P  P149  1  0.990249  0.996758  0.519212  1
  P  P150  1  0.990520  0.296547  0.561023  1
  P  P151  1  0.249182  0.549608  0.562189  1
  P  P152  1  0.248650  0.849316  0.604117  1
  P  P153  1  0.249427  0.249712  0.520550  1
  P  P154  1  0.013307  0.746172  0.623633  1
  P  P155  1  0.014450  0.146750  0.540076  1
  P  P156  1  0.014170  0.446396  0.581747  1
  P  P157  1  0.248913  0.692229  0.582114  1
  P  P158  1  0.250122  0.992335  0.623504  1
  P  P159  1  0.249458  0.392260  0.540389  1
  P  P160  1  0.755391  0.842015  0.602973  1
  P  P161  1  0.755411  0.242393  0.519493  1
  P  P162  1  0.755276  0.542234  0.561200  1
  P  P163  1  0.014173  0.795189  0.562562  1
  P  P164  1  0.014790  0.095358  0.604154  1
  P  P165  1  0.014384  0.495277  0.520792  1
  P  P166  1  0.990171  0.645272  0.541667  1
  P  P167  1  0.990249  0.945213  0.583421  1
  P  P168  1  0.990393  0.345357  0.499957  1
  P  P169  1  0.255194  0.749712  0.520550  1
  P  P170  1  0.255439  0.049608  0.562189  1
  P  P171  1  0.255970  0.349316  0.604117  1
  P  P172  1  0.490171  0.646750  0.540076  1
  P  P173  1  0.490451  0.946396  0.581747  1
  P  P174  1  0.491314  0.246172  0.623633  1
  P  P175  1  0.749354  0.599741  0.499679  1
  P  P176  1  0.749321  0.899595  0.541401  1
  P  P177  1  0.749431  0.199505  0.583186  1
  P  P178  1  0.514100  0.796547  0.561023  1
  P  P179  1  0.514481  0.096376  0.602659  1
  P  P180  1  0.514372  0.496758  0.519212  1
  P  P181  1  0.749210  0.742393  0.519493  1
  P  P182  1  0.749345  0.042234  0.561200  1
  P  P183  1  0.749230  0.342015  0.602973  1
  P  P184  1  0.255162  0.892260  0.540389  1
  P  P185  1  0.255708  0.192229  0.582114  1
  P  P186  1  0.254499  0.492335  0.623504  1
  P  P187  1  0.514228  0.845357  0.499957  1
  P  P188  1  0.514450  0.145272  0.541667  1
  P  P189  1  0.514372  0.445213  0.583421  1
  P  P190  1  0.489831  0.595358  0.604154  1
  P  P191  1  0.490237  0.995277  0.520792  1
  P  P192  1  0.490448  0.295189  0.562562  1
  P  P193  1  0.752812  0.597637  0.708407  1
  P  P194  1  0.755017  0.999355  0.624843  1
  P  P195  1  0.753220  0.299278  0.666586  1
  P  P196  1  0.992487  0.494125  0.727349  1
  P  P197  1  0.990285  0.896076  0.644442  1
  P  P198  1  0.990169  0.195822  0.685758  1
  P  P199  1  0.251699  0.449473  0.686339  1
  P  P200  1  0.254542  0.749107  0.729477  1
  P  P201  1  0.250782  0.149436  0.645711  1
  P  P202  1  0.013254  0.642361  0.746356  1
  P  P203  1  0.015771  0.046770  0.664487  1
  P  P204  1  0.015173  0.345397  0.705466  1
  P  P205  1  0.249946  0.592152  0.707118  1
  P  P206  1  0.262530  0.899731  0.745540  1
  P  P207  1  0.251999  0.291916  0.665697  1
  P  P208  1  0.752182  0.742534  0.728427  1
  P  P209  1  0.754609  0.141922  0.644686  1
  P  P210  1  0.756171  0.441611  0.686651  1
  P  P211  1  0.013982  0.694912  0.688395  1
  P  P212  1  0.009773  0.996076  0.729823  1
  P  P213  1  0.014984  0.394887  0.645789  1
  P  P214  1  0.990553  0.544714  0.667382  1
  P  P215  1  0.992338  0.845360  0.710409  1
  P  P216  1  0.990376  0.245103  0.625244  1
  P  P217  1  0.253838  0.649436  0.645711  1
  P  P218  1  0.252922  0.949473  0.686339  1
  P  P219  1  0.250079  0.249107  0.729477  1
  P  P220  1  0.488849  0.546770  0.664487  1
  P  P221  1  0.489448  0.845397  0.705466  1
  P  P222  1  0.491366  0.142361  0.746356  1
  P  P223  1  0.749603  0.499355  0.624843  1
  P  P224  1  0.751401  0.799278  0.666586  1
  P  P225  1  0.751808  0.097637  0.708407  1
  P  P226  1  0.514451  0.695822  0.685758  1
  P  P227  1  0.512133  0.994125  0.727349  1
  P  P228  1  0.514336  0.396076  0.644442  1
  P  P229  1  0.750011  0.641922  0.644686  1
  P  P230  1  0.748450  0.941611  0.686651  1
  P  P231  1  0.752439  0.242534  0.728427  1
  P  P232  1  0.252622  0.791916  0.665697  1
  P  P233  1  0.254674  0.092152  0.707118  1
  P  P234  1  0.242091  0.399731  0.745540  1
  P  P235  1  0.514244  0.745103  0.625244  1
  P  P236  1  0.514067  0.044714  0.667382  1
  P  P237  1  0.512283  0.345360  0.710409  1
  P  P238  1  0.494848  0.496076  0.729823  1
  P  P239  1  0.489636  0.894887  0.645789  1
  P  P240  1  0.490638  0.194912  0.688395  1
