# generated using pymatgen
data_FeP4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   45.24630243
_cell_length_b   22.42224795
_cell_length_c   58.50760824
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   66.06286424
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeP4
_chemical_formula_sum   'Fe216 P864'
_cell_volume   54252.1047599
_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  0.669321  0.015962  0.413406  1
  Fe  Fe2  1  0.335988  0.015962  0.413406  1
  Fe  Fe3  1  0.699134  0.534784  0.320818  1
  Fe  Fe4  1  0.002654  0.015962  0.413406  1
  Fe  Fe5  1  0.365800  0.534784  0.320818  1
  Fe  Fe6  1  0.683769  0.277612  0.366700  1
  Fe  Fe7  1  0.032467  0.534784  0.320818  1
  Fe  Fe8  1  0.350436  0.277612  0.366700  1
  Fe  Fe9  1  0.017103  0.277612  0.366700  1
  Fe  Fe10  1  0.605019  0.840733  0.353976  1
  Fe  Fe11  1  0.271686  0.840733  0.353976  1
  Fe  Fe12  1  0.591337  0.580597  0.401733  1
  Fe  Fe13  1  0.938352  0.840733  0.353976  1
  Fe  Fe14  1  0.258003  0.580597  0.401733  1
  Fe  Fe15  1  0.620168  0.104986  0.314952  1
  Fe  Fe16  1  0.924670  0.580597  0.401733  1
  Fe  Fe17  1  0.286835  0.104986  0.314952  1
  Fe  Fe18  1  0.953501  0.104986  0.314952  1
  Fe  Fe19  1  0.644422  0.058873  0.362433  1
  Fe  Fe20  1  0.311088  0.058873  0.362433  1
  Fe  Fe21  1  0.631489  0.795851  0.412859  1
  Fe  Fe22  1  0.977755  0.058873  0.362433  1
  Fe  Fe23  1  0.298155  0.795851  0.412859  1
  Fe  Fe24  1  0.657822  0.325801  0.321262  1
  Fe  Fe25  1  0.964822  0.795851  0.412859  1
  Fe  Fe26  1  0.324489  0.325801  0.321262  1
  Fe  Fe27  1  0.991155  0.325801  0.321262  1
  Fe  Fe28  1  0.656440  0.825252  0.320388  1
  Fe  Fe29  1  0.323106  0.825252  0.320388  1
  Fe  Fe30  1  0.640642  0.560956  0.363978  1
  Fe  Fe31  1  0.989773  0.825252  0.320388  1
  Fe  Fe32  1  0.307309  0.560956  0.363978  1
  Fe  Fe33  1  0.626651  0.299717  0.412474  1
  Fe  Fe34  1  0.973976  0.560956  0.363978  1
  Fe  Fe35  1  0.293318  0.299717  0.412474  1
  Fe  Fe36  1  0.959984  0.299717  0.412474  1
  Fe  Fe37  1  0.865800  0.534784  0.320818  1
  Fe  Fe38  1  0.532467  0.534784  0.320818  1
  Fe  Fe39  1  0.850436  0.277612  0.366700  1
  Fe  Fe40  1  0.199134  0.534784  0.320818  1
  Fe  Fe41  1  0.517103  0.277612  0.366700  1
  Fe  Fe42  1  0.835988  0.015962  0.413406  1
  Fe  Fe43  1  0.183769  0.277612  0.366700  1
  Fe  Fe44  1  0.502654  0.015962  0.413406  1
  Fe  Fe45  1  0.169321  0.015962  0.413406  1
  Fe  Fe46  1  0.771686  0.840733  0.353976  1
  Fe  Fe47  1  0.438352  0.840733  0.353976  1
  Fe  Fe48  1  0.758003  0.580597  0.401733  1
  Fe  Fe49  1  0.105019  0.840733  0.353976  1
  Fe  Fe50  1  0.424670  0.580597  0.401733  1
  Fe  Fe51  1  0.786835  0.104986  0.314952  1
  Fe  Fe52  1  0.091337  0.580597  0.401733  1
  Fe  Fe53  1  0.453501  0.104986  0.314952  1
  Fe  Fe54  1  0.120168  0.104986  0.314952  1
  Fe  Fe55  1  0.798155  0.795851  0.412859  1
  Fe  Fe56  1  0.464822  0.795851  0.412859  1
  Fe  Fe57  1  0.824489  0.325801  0.321262  1
  Fe  Fe58  1  0.131489  0.795851  0.412859  1
  Fe  Fe59  1  0.491155  0.325801  0.321262  1
  Fe  Fe60  1  0.811088  0.058873  0.362433  1
  Fe  Fe61  1  0.157822  0.325801  0.321262  1
  Fe  Fe62  1  0.477755  0.058873  0.362433  1
  Fe  Fe63  1  0.144422  0.058873  0.362433  1
  Fe  Fe64  1  0.823106  0.825252  0.320388  1
  Fe  Fe65  1  0.489773  0.825252  0.320388  1
  Fe  Fe66  1  0.807309  0.560956  0.363978  1
  Fe  Fe67  1  0.156440  0.825252  0.320388  1
  Fe  Fe68  1  0.473976  0.560956  0.363978  1
  Fe  Fe69  1  0.793318  0.299717  0.412474  1
  Fe  Fe70  1  0.140642  0.560956  0.363978  1
  Fe  Fe71  1  0.459984  0.299717  0.412474  1
  Fe  Fe72  1  0.126651  0.299717  0.412474  1
  Fe  Fe73  1  0.626873  0.233142  0.557088  1
  Fe  Fe74  1  0.293540  0.233142  0.557088  1
  Fe  Fe75  1  0.655175  0.755389  0.461509  1
  Fe  Fe76  1  0.960206  0.233142  0.557088  1
  Fe  Fe77  1  0.321841  0.755389  0.461509  1
  Fe  Fe78  1  0.640972  0.494234  0.509218  1
  Fe  Fe79  1  0.988508  0.755389  0.461509  1
  Fe  Fe80  1  0.307639  0.494234  0.509218  1
  Fe  Fe81  1  0.974306  0.494234  0.509218  1
  Fe  Fe82  1  0.563083  0.057910  0.497519  1
  Fe  Fe83  1  0.229750  0.057910  0.497519  1
  Fe  Fe84  1  0.548800  0.796847  0.545304  1
  Fe  Fe85  1  0.896417  0.057910  0.497519  1
  Fe  Fe86  1  0.215467  0.796847  0.545304  1
  Fe  Fe87  1  0.577151  0.319130  0.450011  1
  Fe  Fe88  1  0.882134  0.796847  0.545304  1
  Fe  Fe89  1  0.243818  0.319130  0.450011  1
  Fe  Fe90  1  0.910484  0.319130  0.450011  1
  Fe  Fe91  1  0.603109  0.273095  0.508414  1
  Fe  Fe92  1  0.269775  0.273095  0.508414  1
  Fe  Fe93  1  0.588930  0.012278  0.555909  1
  Fe  Fe94  1  0.936442  0.273095  0.508414  1
  Fe  Fe95  1  0.255597  0.012278  0.555909  1
  Fe  Fe96  1  0.617146  0.534330  0.460449  1
  Fe  Fe97  1  0.922263  0.012278  0.555909  1
  Fe  Fe98  1  0.283813  0.534330  0.460449  1
  Fe  Fe99  1  0.950480  0.534330  0.460449  1
  Fe  Fe100  1  0.612552  0.037680  0.459619  1
  Fe  Fe101  1  0.279218  0.037680  0.459619  1
  Fe  Fe102  1  0.598281  0.776917  0.507557  1
  Fe  Fe103  1  0.945885  0.037680  0.459619  1
  Fe  Fe104  1  0.264948  0.776917  0.507557  1
  Fe  Fe105  1  0.584039  0.516087  0.555524  1
  Fe  Fe106  1  0.931615  0.776917  0.507557  1
  Fe  Fe107  1  0.250706  0.516087  0.555524  1
  Fe  Fe108  1  0.917372  0.516087  0.555524  1
  Fe  Fe109  1  0.821841  0.755389  0.461509  1
  Fe  Fe110  1  0.488508  0.755389  0.461509  1
  Fe  Fe111  1  0.807639  0.494234  0.509218  1
  Fe  Fe112  1  0.155175  0.755389  0.461509  1
  Fe  Fe113  1  0.474306  0.494234  0.509218  1
  Fe  Fe114  1  0.793540  0.233142  0.557088  1
  Fe  Fe115  1  0.140972  0.494234  0.509218  1
  Fe  Fe116  1  0.460206  0.233142  0.557088  1
  Fe  Fe117  1  0.126873  0.233142  0.557088  1
  Fe  Fe118  1  0.729750  0.057910  0.497519  1
  Fe  Fe119  1  0.396417  0.057910  0.497519  1
  Fe  Fe120  1  0.715467  0.796847  0.545304  1
  Fe  Fe121  1  0.063083  0.057910  0.497519  1
  Fe  Fe122  1  0.382134  0.796847  0.545304  1
  Fe  Fe123  1  0.743818  0.319130  0.450011  1
  Fe  Fe124  1  0.048800  0.796847  0.545304  1
  Fe  Fe125  1  0.410484  0.319130  0.450011  1
  Fe  Fe126  1  0.077151  0.319130  0.450011  1
  Fe  Fe127  1  0.755597  0.012278  0.555909  1
  Fe  Fe128  1  0.422263  0.012278  0.555909  1
  Fe  Fe129  1  0.783813  0.534330  0.460449  1
  Fe  Fe130  1  0.088930  0.012278  0.555909  1
  Fe  Fe131  1  0.450480  0.534330  0.460449  1
  Fe  Fe132  1  0.769775  0.273095  0.508414  1
  Fe  Fe133  1  0.117146  0.534330  0.460449  1
  Fe  Fe134  1  0.436442  0.273095  0.508414  1
  Fe  Fe135  1  0.103109  0.273095  0.508414  1
  Fe  Fe136  1  0.779218  0.037680  0.459619  1
  Fe  Fe137  1  0.445885  0.037680  0.459619  1
  Fe  Fe138  1  0.764948  0.776917  0.507557  1
  Fe  Fe139  1  0.112552  0.037680  0.459619  1
  Fe  Fe140  1  0.431615  0.776917  0.507557  1
  Fe  Fe141  1  0.750706  0.516087  0.555524  1
  Fe  Fe142  1  0.098281  0.776917  0.507557  1
  Fe  Fe143  1  0.417372  0.516087  0.555524  1
  Fe  Fe144  1  0.084039  0.516087  0.555524  1
  Fe  Fe145  1  0.581762  0.450549  0.695672  1
  Fe  Fe146  1  0.248428  0.450549  0.695672  1
  Fe  Fe147  1  0.613131  0.971477  0.604325  1
  Fe  Fe148  1  0.915095  0.450549  0.695672  1
  Fe  Fe149  1  0.279798  0.971477  0.604325  1
  Fe  Fe150  1  0.595726  0.714188  0.653823  1
  Fe  Fe151  1  0.946465  0.971477  0.604325  1
  Fe  Fe152  1  0.262392  0.714188  0.653823  1
  Fe  Fe153  1  0.929059  0.714188  0.653823  1
  Fe  Fe154  1  0.520950  0.273985  0.642956  1
  Fe  Fe155  1  0.187616  0.273985  0.642956  1
  Fe  Fe156  1  0.507618  0.007159  0.685462  1
  Fe  Fe157  1  0.854283  0.273985  0.642956  1
  Fe  Fe158  1  0.174285  0.007159  0.685462  1
  Fe  Fe159  1  0.534467  0.535983  0.593138  1
  Fe  Fe160  1  0.840952  0.007159  0.685462  1
  Fe  Fe161  1  0.201134  0.535983  0.593138  1
  Fe  Fe162  1  0.867801  0.535983  0.593138  1
  Fe  Fe163  1  0.559707  0.491167  0.650954  1
  Fe  Fe164  1  0.226374  0.491167  0.650954  1
  Fe  Fe165  1  0.542854  0.234963  0.688830  1
  Fe  Fe166  1  0.893040  0.491167  0.650954  1
  Fe  Fe167  1  0.209521  0.234963  0.688830  1
  Fe  Fe168  1  0.574524  0.751019  0.603429  1
  Fe  Fe169  1  0.876188  0.234963  0.688830  1
  Fe  Fe170  1  0.241190  0.751019  0.603429  1
  Fe  Fe171  1  0.907857  0.751019  0.603429  1
  Fe  Fe172  1  0.570439  0.254350  0.602928  1
  Fe  Fe173  1  0.237106  0.254350  0.602928  1
  Fe  Fe174  1  0.556989  0.993404  0.651061  1
  Fe  Fe175  1  0.903773  0.254350  0.602928  1
  Fe  Fe176  1  0.223656  0.993404  0.651061  1
  Fe  Fe177  1  0.545463  0.733834  0.688873  1
  Fe  Fe178  1  0.890323  0.993404  0.651061  1
  Fe  Fe179  1  0.212129  0.733834  0.688873  1
  Fe  Fe180  1  0.878796  0.733834  0.688873  1
  Fe  Fe181  1  0.779798  0.971477  0.604325  1
  Fe  Fe182  1  0.446465  0.971477  0.604325  1
  Fe  Fe183  1  0.762392  0.714188  0.653823  1
  Fe  Fe184  1  0.113131  0.971477  0.604325  1
  Fe  Fe185  1  0.429059  0.714188  0.653823  1
  Fe  Fe186  1  0.748428  0.450549  0.695672  1
  Fe  Fe187  1  0.095726  0.714188  0.653823  1
  Fe  Fe188  1  0.415095  0.450549  0.695672  1
  Fe  Fe189  1  0.081762  0.450549  0.695672  1
  Fe  Fe190  1  0.687616  0.273985  0.642956  1
  Fe  Fe191  1  0.354283  0.273985  0.642956  1
  Fe  Fe192  1  0.674285  0.007159  0.685462  1
  Fe  Fe193  1  0.020950  0.273985  0.642956  1
  Fe  Fe194  1  0.340952  0.007159  0.685462  1
  Fe  Fe195  1  0.701134  0.535983  0.593138  1
  Fe  Fe196  1  0.007618  0.007159  0.685462  1
  Fe  Fe197  1  0.367801  0.535983  0.593138  1
  Fe  Fe198  1  0.034467  0.535983  0.593138  1
  Fe  Fe199  1  0.709521  0.234963  0.688830  1
  Fe  Fe200  1  0.376188  0.234963  0.688830  1
  Fe  Fe201  1  0.741190  0.751019  0.603429  1
  Fe  Fe202  1  0.042854  0.234963  0.688830  1
  Fe  Fe203  1  0.407857  0.751019  0.603429  1
  Fe  Fe204  1  0.726374  0.491167  0.650954  1
  Fe  Fe205  1  0.074524  0.751019  0.603429  1
  Fe  Fe206  1  0.393040  0.491167  0.650954  1
  Fe  Fe207  1  0.059707  0.491167  0.650954  1
  Fe  Fe208  1  0.737106  0.254350  0.602928  1
  Fe  Fe209  1  0.403773  0.254350  0.602928  1
  Fe  Fe210  1  0.723656  0.993404  0.651061  1
  Fe  Fe211  1  0.070439  0.254350  0.602928  1
  Fe  Fe212  1  0.390323  0.993404  0.651061  1
  Fe  Fe213  1  0.712129  0.733834  0.688873  1
  Fe  Fe214  1  0.056989  0.993404  0.651061  1
  Fe  Fe215  1  0.378796  0.733834  0.688873  1
  Fe  Fe216  1  0.045463  0.733834  0.688873  1
  P  P217  1  0.672902  0.830334  0.404767  1
  P  P218  1  0.339568  0.830334  0.404767  1
  P  P219  1  0.701243  0.350496  0.309236  1
  P  P220  1  0.006235  0.830334  0.404767  1
  P  P221  1  0.367910  0.350496  0.309236  1
  P  P222  1  0.687183  0.092054  0.356629  1
  P  P223  1  0.034576  0.350496  0.309236  1
  P  P224  1  0.353849  0.092054  0.356629  1
  P  P225  1  0.020516  0.092054  0.356629  1
  P  P226  1  0.623314  0.913291  0.297062  1
  P  P227  1  0.289981  0.913291  0.297062  1
  P  P228  1  0.607934  0.656543  0.344425  1
  P  P229  1  0.956648  0.913291  0.297062  1
  P  P230  1  0.274600  0.656543  0.344425  1
  P  P231  1  0.593225  0.395582  0.393408  1
  P  P232  1  0.941267  0.656543  0.344425  1
  P  P233  1  0.259892  0.395582  0.393408  1
  P  P234  1  0.926559  0.395582  0.393408  1
  P  P235  1  0.592962  0.894718  0.392530  1
  P  P236  1  0.259629  0.894718  0.392530  1
  P  P237  1  0.622032  0.413658  0.297792  1
  P  P238  1  0.926296  0.894718  0.392530  1
  P  P239  1  0.288699  0.413658  0.297792  1
  P  P240  1  0.605949  0.161986  0.346788  1
  P  P241  1  0.955365  0.413658  0.297792  1
  P  P242  1  0.272615  0.161986  0.346788  1
  P  P243  1  0.939282  0.161986  0.346788  1
  P  P244  1  0.614721  0.785775  0.318058  1
  P  P245  1  0.281387  0.785775  0.318058  1
  P  P246  1  0.598063  0.527448  0.366897  1
  P  P247  1  0.948054  0.785775  0.318058  1
  P  P248  1  0.264730  0.527448  0.366897  1
  P  P249  1  0.584714  0.264090  0.415042  1
  P  P250  1  0.931396  0.527448  0.366897  1
  P  P251  1  0.251381  0.264090  0.415042  1
  P  P252  1  0.918047  0.264090  0.415042  1
  P  P253  1  0.601204  0.026529  0.368341  1
  P  P254  1  0.267871  0.026529  0.368341  1
  P  P255  1  0.587230  0.765216  0.415863  1
  P  P256  1  0.934537  0.026529  0.368341  1
  P  P257  1  0.253896  0.765216  0.415863  1
  P  P258  1  0.616964  0.284759  0.320523  1
  P  P259  1  0.920563  0.765216  0.415863  1
  P  P260  1  0.283631  0.284759  0.320523  1
  P  P261  1  0.950297  0.284759  0.320523  1
  P  P262  1  0.577987  0.067353  0.314449  1
  P  P263  1  0.244653  0.067353  0.314449  1
  P  P264  1  0.561836  0.807516  0.361468  1
  P  P265  1  0.911320  0.067353  0.314449  1
  P  P266  1  0.228503  0.807516  0.361468  1
  P  P267  1  0.547492  0.547372  0.410084  1
  P  P268  1  0.895170  0.807516  0.361468  1
  P  P269  1  0.214158  0.547372  0.410084  1
  P  P270  1  0.880825  0.547372  0.410084  1
  P  P271  1  0.913097  0.700677  0.292166  1
  P  P272  1  0.579764  0.700677  0.292166  1
  P  P273  1  0.900297  0.438397  0.338193  1
  P  P274  1  0.246431  0.700677  0.292166  1
  P  P275  1  0.566964  0.438397  0.338193  1
  P  P276  1  0.885239  0.179456  0.385941  1
  P  P277  1  0.233630  0.438397  0.338193  1
  P  P278  1  0.551906  0.179456  0.385941  1
  P  P279  1  0.218573  0.179456  0.385941  1
  P  P280  1  0.701649  0.849785  0.308780  1
  P  P281  1  0.368316  0.849785  0.308780  1
  P  P282  1  0.686882  0.591800  0.356761  1
  P  P283  1  0.034983  0.849785  0.308780  1
  P  P284  1  0.353549  0.591800  0.356761  1
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