# generated using pymatgen
data_FeP4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   22.59190341
_cell_length_b   22.49975471
_cell_length_c   56.46797115
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   100.67938567
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeP4
_chemical_formula_sum   'Fe108 P432'
_cell_volume   28206.2078031
_cell_formula_units_Z   108
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  0.729538  0.352048  0.361409  1
  Fe  Fe2  1  0.396204  0.018715  0.361409  1
  Fe  Fe3  1  0.447139  0.298992  0.409817  1
  Fe  Fe4  1  0.012619  0.405974  0.315048  1
  Fe  Fe5  1  0.062871  0.685382  0.361409  1
  Fe  Fe6  1  0.113805  0.965658  0.409817  1
  Fe  Fe7  1  0.679285  0.072640  0.315048  1
  Fe  Fe8  1  0.780472  0.632325  0.409817  1
  Fe  Fe9  1  0.345952  0.739307  0.315048  1
  Fe  Fe10  1  0.496350  0.580422  0.304825  1
  Fe  Fe11  1  0.163017  0.247088  0.304825  1
  Fe  Fe12  1  0.215956  0.530017  0.351060  1
  Fe  Fe13  1  0.934811  0.477217  0.398861  1
  Fe  Fe14  1  0.829683  0.913755  0.304825  1
  Fe  Fe15  1  0.882622  0.196683  0.351060  1
  Fe  Fe16  1  0.601477  0.143883  0.398861  1
  Fe  Fe17  1  0.549289  0.863350  0.351060  1
  Fe  Fe18  1  0.268144  0.810550  0.398861  1
  Fe  Fe19  1  0.512619  0.405974  0.315048  1
  Fe  Fe20  1  0.179285  0.072640  0.315048  1
  Fe  Fe21  1  0.229538  0.352048  0.361409  1
  Fe  Fe22  1  0.947139  0.298992  0.409817  1
  Fe  Fe23  1  0.845952  0.739307  0.315048  1
  Fe  Fe24  1  0.896204  0.018715  0.361409  1
  Fe  Fe25  1  0.613805  0.965658  0.409817  1
  Fe  Fe26  1  0.562871  0.685382  0.361409  1
  Fe  Fe27  1  0.280472  0.632325  0.409817  1
  Fe  Fe28  1  0.715956  0.530017  0.351060  1
  Fe  Fe29  1  0.382622  0.196683  0.351060  1
  Fe  Fe30  1  0.434811  0.477217  0.398861  1
  Fe  Fe31  1  0.996350  0.580422  0.304825  1
  Fe  Fe32  1  0.049289  0.863350  0.351060  1
  Fe  Fe33  1  0.101477  0.143883  0.398861  1
  Fe  Fe34  1  0.663017  0.247088  0.304825  1
  Fe  Fe35  1  0.768144  0.810550  0.398861  1
  Fe  Fe36  1  0.329683  0.913755  0.304825  1
  Fe  Fe37  1  0.884471  0.194225  0.505099  1
  Fe  Fe38  1  0.551138  0.860892  0.505099  1
  Fe  Fe39  1  0.603118  0.141788  0.552790  1
  Fe  Fe40  1  0.165929  0.246778  0.457396  1
  Fe  Fe41  1  0.217804  0.527559  0.505099  1
  Fe  Fe42  1  0.269785  0.808455  0.552790  1
  Fe  Fe43  1  0.832596  0.913444  0.457396  1
  Fe  Fe44  1  0.936452  0.475121  0.552790  1
  Fe  Fe45  1  0.499262  0.580111  0.457396  1
  Fe  Fe46  1  0.653758  0.425082  0.446494  1
  Fe  Fe47  1  0.320424  0.091748  0.446494  1
  Fe  Fe48  1  0.372405  0.372645  0.494186  1
  Fe  Fe49  1  0.090947  0.320092  0.541889  1
  Fe  Fe50  1  0.987091  0.758415  0.446494  1
  Fe  Fe51  1  0.039072  0.039311  0.494186  1
  Fe  Fe52  1  0.757614  0.986759  0.541889  1
  Fe  Fe53  1  0.705738  0.705978  0.494186  1
  Fe  Fe54  1  0.424280  0.653426  0.541889  1
  Fe  Fe55  1  0.665929  0.246778  0.457396  1
  Fe  Fe56  1  0.332596  0.913444  0.457396  1
  Fe  Fe57  1  0.384471  0.194225  0.505099  1
  Fe  Fe58  1  0.103118  0.141788  0.552790  1
  Fe  Fe59  1  0.999262  0.580111  0.457396  1
  Fe  Fe60  1  0.051138  0.860892  0.505099  1
  Fe  Fe61  1  0.769785  0.808455  0.552790  1
  Fe  Fe62  1  0.717804  0.527559  0.505099  1
  Fe  Fe63  1  0.436452  0.475121  0.552790  1
  Fe  Fe64  1  0.872405  0.372645  0.494186  1
  Fe  Fe65  1  0.539072  0.039311  0.494186  1
  Fe  Fe66  1  0.590947  0.320092  0.541889  1
  Fe  Fe67  1  0.153758  0.425082  0.446494  1
  Fe  Fe68  1  0.205738  0.705978  0.494186  1
  Fe  Fe69  1  0.257614  0.986759  0.541889  1
  Fe  Fe70  1  0.820424  0.091748  0.446494  1
  Fe  Fe71  1  0.924280  0.653426  0.541889  1
  Fe  Fe72  1  0.487091  0.758415  0.446494  1
  Fe  Fe73  1  0.040920  0.036853  0.648224  1
  Fe  Fe74  1  0.707587  0.703520  0.648224  1
  Fe  Fe75  1  0.760526  0.986448  0.694460  1
  Fe  Fe76  1  0.322065  0.089653  0.600423  1
  Fe  Fe77  1  0.374254  0.370187  0.648224  1
  Fe  Fe78  1  0.427193  0.653115  0.694460  1
  Fe  Fe79  1  0.988732  0.756320  0.600423  1
  Fe  Fe80  1  0.093859  0.319782  0.694460  1
  Fe  Fe81  1  0.655399  0.422986  0.600423  1
  Fe  Fe82  1  0.809737  0.267878  0.589467  1
  Fe  Fe83  1  0.476404  0.934545  0.589467  1
  Fe  Fe84  1  0.527338  0.214822  0.637876  1
  Fe  Fe85  1  0.244257  0.160896  0.684236  1
  Fe  Fe86  1  0.143071  0.601211  0.589467  1
  Fe  Fe87  1  0.194005  0.881488  0.637876  1
  Fe  Fe88  1  0.910924  0.827563  0.684236  1
  Fe  Fe89  1  0.860672  0.548155  0.637876  1
  Fe  Fe90  1  0.577591  0.494230  0.684236  1
  Fe  Fe91  1  0.822065  0.089653  0.600423  1
  Fe  Fe92  1  0.488732  0.756320  0.600423  1
  Fe  Fe93  1  0.540920  0.036853  0.648224  1
  Fe  Fe94  1  0.260526  0.986448  0.694460  1
  Fe  Fe95  1  0.155399  0.422986  0.600423  1
  Fe  Fe96  1  0.207587  0.703520  0.648224  1
  Fe  Fe97  1  0.927193  0.653115  0.694460  1
  Fe  Fe98  1  0.874254  0.370187  0.648224  1
  Fe  Fe99  1  0.593859  0.319782  0.694460  1
  Fe  Fe100  1  0.027338  0.214822  0.637876  1
  Fe  Fe101  1  0.694005  0.881488  0.637876  1
  Fe  Fe102  1  0.744257  0.160896  0.684236  1
  Fe  Fe103  1  0.309737  0.267878  0.589467  1
  Fe  Fe104  1  0.360672  0.548155  0.637876  1
  Fe  Fe105  1  0.410924  0.827563  0.684236  1
  Fe  Fe106  1  0.976404  0.934545  0.589467  1
  Fe  Fe107  1  0.077591  0.494230  0.684236  1
  Fe  Fe108  1  0.643071  0.601211  0.589467  1
  P  P109  1  0.544367  0.457675  0.346503  1
  P  P110  1  0.211034  0.124342  0.346503  1
  P  P111  1  0.262390  0.404114  0.393085  1
  P  P112  1  0.825654  0.510453  0.299620  1
  P  P113  1  0.877701  0.791008  0.346503  1
  P  P114  1  0.929057  0.070781  0.393085  1
  P  P115  1  0.492321  0.177120  0.299620  1
  P  P116  1  0.595724  0.737447  0.393085  1
  P  P117  1  0.158987  0.843787  0.299620  1
  P  P118  1  0.498629  0.333250  0.378540  1
  P  P119  1  0.165296  0.999917  0.378540  1
  P  P120  1  0.217226  0.281138  0.426014  1
  P  P121  1  0.779995  0.385450  0.329685  1
  P  P122  1  0.831963  0.666583  0.378540  1
  P  P123  1  0.883893  0.947805  0.426014  1
  P  P124  1  0.446662  0.052117  0.329685  1
  P  P125  1  0.550559  0.614472  0.426014  1
  P  P126  1  0.113329  0.718783  0.329685  1
  P  P127  1  0.595199  0.238599  0.392797  1
  P  P128  1  0.261866  0.905266  0.392797  1
  P  P129  1  0.154010  0.339488  0.296818  1
  P  P130  1  0.876735  0.291273  0.344517  1
  P  P131  1  0.928533  0.571933  0.392797  1
  P  P132  1  0.820676  0.006154  0.296818  1
  P  P133  1  0.543401  0.957940  0.344517  1
  P  P134  1  0.487343  0.672821  0.296818  1
  P  P135  1  0.210068  0.624607  0.344517  1
  P  P136  1  0.528084  0.470313  0.405876  1
  P  P137  1  0.194751  0.136980  0.405876  1
  P  P138  1  0.090999  0.575371  0.309663  1
  P  P139  1  0.808973  0.522263  0.358009  1
  P  P140  1  0.861417  0.803647  0.405876  1
  P  P141  1  0.757665  0.242038  0.309663  1
  P  P142  1  0.475640  0.188930  0.358009  1
  P  P143  1  0.424332  0.908705  0.309663  1
  P  P144  1  0.142306  0.855597  0.358009  1
  P  P145  1  0.619952  0.372415  0.415170  1
  P  P146  1  0.286618  0.039082  0.415170  1
  P  P147  1  0.182578  0.477675  0.319585  1
  P  P148  1  0.901034  0.424308  0.367465  1
  P  P149  1  0.953285  0.705748  0.415170  1
  P  P150  1  0.849244  0.144342  0.319585  1
  P  P151  1  0.567701  0.090975  0.367465  1
  P  P152  1  0.515911  0.811009  0.319585  1
  P  P153  1  0.234368  0.757642  0.367465  1
  P  P154  1  0.569011  0.591083  0.368223  1
  P  P155  1  0.235678  0.257750  0.368223  1
  P  P156  1  0.287214  0.537868  0.416006  1
  P  P157  1  0.849923  0.643790  0.321237  1
  P  P158  1  0.902345  0.924416  0.368223  1
  P  P159  1  0.953881  0.204535  0.416006  1
  P  P160  1  0.516589  0.310457  0.321237  1
  P  P161  1  0.620548  0.871201  0.416006  1
  P  P162  1  0.183256  0.977124  0.321237  1
  P  P163  1  0.665414  0.495892  0.382607  1
  P  P164  1  0.332080  0.162559  0.382607  1
  P  P165  1  0.232113  0.602698  0.288642  1
  P  P166  1  0.945193  0.547815  0.335935  1
  P  P167  1  0.998747  0.829226  0.382607  1
  P  P168  1  0.898779  0.269365  0.288642  1
  P  P169  1  0.611859  0.214482  0.335935  1
  P  P170  1  0.565446  0.936031  0.288642  1
  P  P171  1  0.278526  0.881149  0.335935  1
  P  P172  1  0.636199  0.359430  0.355197  1
  P  P173  1  0.302866  0.026096  0.355197  1
  P  P174  1  0.354115  0.306470  0.402774  1
  P  P175  1  0.919882  0.413200  0.306932  1
  P  P176  1  0.969532  0.692763  0.355197  1
  P  P177  1  0.020781  0.973136  0.402774  1
  P  P178  1  0.586549  0.079866  0.306932  1
  P  P179  1  0.687448  0.639803  0.402774  1
  P  P180  1  0.253215  0.746533  0.306932  1
  P  P181  1  0.762390  0.404114  0.393085  1
  P  P182  1  0.429057  0.070781  0.393085  1
  P  P183  1  0.325654  0.510453  0.299620  1
  P  P184  1  0.044367  0.457675  0.346503  1
  P  P185  1  0.095724  0.737447  0.393085  1
  P  P186  1  0.992321  0.177120  0.299620  1
  P  P187  1  0.711034  0.124342  0.346503  1
  P  P188  1  0.658987  0.843787  0.299620  1
  P  P189  1  0.377701  0.791008  0.346503  1
  P  P190  1  0.717226  0.281138  0.426014  1
  P  P191  1  0.383893  0.947805  0.426014  1
  P  P192  1  0.279995  0.385450  0.329685  1
  P  P193  1  0.998629  0.333250  0.378540  1
  P  P194  1  0.050559  0.614472  0.426014  1
  P  P195  1  0.946662  0.052117  0.329685  1
  P  P196  1  0.665296  0.999917  0.378540  1
  P  P197  1  0.613329  0.718783  0.329685  1
  P  P198  1  0.331963  0.666583  0.378540  1
  P  P199  1  0.654010  0.339488  0.296818  1
  P  P200  1  0.320676  0.006154  0.296818  1
  P  P201  1  0.376735  0.291273  0.344517  1
  P  P202  1  0.095199  0.238599  0.392797  1
  P  P203  1  0.987343  0.672821  0.296818  1
  P  P204  1  0.043401  0.957940  0.344517  1
  P  P205  1  0.761866  0.905266  0.392797  1
  P  P206  1  0.710068  0.624607  0.344517  1
  P  P207  1  0.428533  0.571933  0.392797  1
  P  P208  1  0.590999  0.575371  0.309663  1
  P  P209  1  0.257665  0.242038  0.309663  1
  P  P210  1  0.308973  0.522263  0.358009  1
  P  P211  1  0.028084  0.470313  0.405876  1
  P  P212  1  0.924332  0.908705  0.309663  1
  P  P213  1  0.975640  0.188930  0.358009  1
  P  P214  1  0.694751  0.136980  0.405876  1
  P  P215  1  0.642306  0.855597  0.358009  1
  P  P216  1  0.361417  0.803647  0.405876  1
  P  P217  1  0.682578  0.477675  0.319585  1
  P  P218  1  0.349244  0.144342  0.319585  1
  P  P219  1  0.401034  0.424308  0.367465  1
  P  P220  1  0.119952  0.372415  0.415170  1
  P  P221  1  0.015911  0.811009  0.319585  1
  P  P222  1  0.067701  0.090975  0.367465  1
  P  P223  1  0.786618  0.039082  0.415170  1
  P  P224  1  0.734368  0.757642  0.367465  1
  P  P225  1  0.453285  0.705748  0.415170  1
  P  P226  1  0.787214  0.537868  0.416006  1
  P  P227  1  0.453881  0.204535  0.416006  1
  P  P228  1  0.349923  0.643790  0.321237  1
  P  P229  1  0.069011  0.591083  0.368223  1
  P  P230  1  0.120548  0.871201  0.416006  1
  P  P231  1  0.016589  0.310457  0.321237  1
  P  P232  1  0.735678  0.257750  0.368223  1
  P  P233  1  0.683256  0.977124  0.321237  1
  P  P234  1  0.402345  0.924416  0.368223  1
  P  P235  1  0.445193  0.547815  0.335935  1
  P  P236  1  0.111859  0.214482  0.335935  1
  P  P237  1  0.165414  0.495892  0.382607  1
  P  P238  1  0.732113  0.602698  0.288642  1
  P  P239  1  0.778526  0.881149  0.335935  1
  P  P240  1  0.832080  0.162559  0.382607  1
  P  P241  1  0.398779  0.269365  0.288642  1
  P  P242  1  0.498747  0.829226  0.382607  1
  P  P243  1  0.065446  0.936031  0.288642  1
  P  P244  1  0.419882  0.413200  0.306932  1
  P  P245  1  0.086549  0.079866  0.306932  1
  P  P246  1  0.136199  0.359430  0.355197  1
  P  P247  1  0.854115  0.306470  0.402774  1
  P  P248  1  0.753215  0.746533  0.306932  1
  P  P249  1  0.802866  0.026096  0.355197  1
  P  P250  1  0.520781  0.973136  0.402774  1
  P  P251  1  0.469532  0.692763  0.355197  1
  P  P252  1  0.187448  0.639803  0.402774  1
  P  P253  1  0.699792  0.299529  0.488691  1
  P  P254  1  0.366458  0.966196  0.488691  1
  P  P255  1  0.418423  0.247098  0.536357  1
  P  P256  1  0.981198  0.351942  0.441040  1
  P  P257  1  0.033125  0.632862  0.488691  1
  P  P258  1  0.085090  0.913765  0.536357  1
  P  P259  1  0.647864  0.018609  0.441040  1
  P  P260  1  0.751756  0.580431  0.536357  1
  P  P261  1  0.314531  0.685276  0.441040  1
  P  P262  1  0.654393  0.176081  0.521432  1
  P  P263  1  0.321060  0.842747  0.521432  1
  P  P264  1  0.373235  0.123825  0.569061  1
  P  P265  1  0.935781  0.228514  0.473752  1
  P  P266  1  0.987727  0.509414  0.521432  1
  P  P267  1  0.039902  0.790492  0.569061  1
  P  P268  1  0.602448  0.895181  0.473752  1
  P  P269  1  0.706568  0.457158  0.569061  1
  P  P270  1  0.269114  0.561848  0.473752  1
  P  P271  1  0.751092  0.081211  0.535584  1
  P  P272  1  0.417759  0.747877  0.535584  1
  P  P273  1  0.313722  0.186197  0.440306  1
  P  P274  1  0.032362  0.133728  0.487955  1
  P  P275  1  0.084426  0.414544  0.535584  1
  P  P276  1  0.980389  0.852863  0.440306  1
  P  P277  1  0.699029  0.800395  0.487955  1
  P  P278  1  0.647056  0.519530  0.440306  1
  P  P279  1  0.365696  0.467062  0.487955  1
  P  P280  1  0.684142  0.312781  0.548727  1
  P  P281  1  0.350809  0.979447  0.548727  1
  P  P282  1  0.246898  0.417678  0.453364  1
  P  P283  1  0.965557  0.365252  0.501069  1
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