# generated using pymatgen
data_FeP4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   49.18281191
_cell_length_b   16.27304401
_cell_length_c   54.14802162
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   81.08439922
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeP4
_chemical_formula_sum   'Fe180 P720'
_cell_volume   42813.9714986
_cell_formula_units_Z   180
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  0.932497  0.744807  0.270560  1
  Fe  Fe2  1  0.610087  0.904998  0.326562  1
  Fe  Fe3  1  0.932497  0.244807  0.270560  1
  Fe  Fe4  1  0.267834  0.834859  0.296770  1
  Fe  Fe5  1  0.610087  0.404998  0.326562  1
  Fe  Fe6  1  0.267834  0.334859  0.296770  1
  Fe  Fe7  1  0.773582  0.960050  0.326557  1
  Fe  Fe8  1  0.430498  0.904593  0.300269  1
  Fe  Fe9  1  0.773582  0.460050  0.326557  1
  Fe  Fe10  1  0.088732  0.815915  0.274227  1
  Fe  Fe11  1  0.430498  0.404593  0.300269  1
  Fe  Fe12  1  0.088732  0.315915  0.274227  1
  Fe  Fe13  1  0.044964  0.196870  0.323337  1
  Fe  Fe14  1  0.701792  0.112778  0.296580  1
  Fe  Fe15  1  0.044964  0.696870  0.323337  1
  Fe  Fe16  1  0.384698  0.275532  0.354149  1
  Fe  Fe17  1  0.701792  0.612778  0.296580  1
  Fe  Fe18  1  0.384698  0.775532  0.354149  1
  Fe  Fe19  1  0.876546  0.146206  0.322503  1
  Fe  Fe20  1  0.534302  0.086878  0.297288  1
  Fe  Fe21  1  0.876546  0.646206  0.322503  1
  Fe  Fe22  1  0.218995  0.213142  0.352794  1
  Fe  Fe23  1  0.534302  0.586878  0.297288  1
  Fe  Fe24  1  0.218995  0.713142  0.352794  1
  Fe  Fe25  1  0.998710  0.094983  0.338439  1
  Fe  Fe26  1  0.655241  0.009081  0.310585  1
  Fe  Fe27  1  0.998710  0.594983  0.338439  1
  Fe  Fe28  1  0.312570  0.935236  0.287077  1
  Fe  Fe29  1  0.655241  0.509081  0.310585  1
  Fe  Fe30  1  0.312570  0.435236  0.287077  1
  Fe  Fe31  1  0.829521  0.285808  0.325044  1
  Fe  Fe32  1  0.490320  0.219633  0.301262  1
  Fe  Fe33  1  0.829521  0.785808  0.325044  1
  Fe  Fe34  1  0.164650  0.386535  0.354191  1
  Fe  Fe35  1  0.490320  0.719633  0.301262  1
  Fe  Fe36  1  0.164650  0.886535  0.354191  1
  Fe  Fe37  1  0.947781  0.973495  0.356629  1
  Fe  Fe38  1  0.628810  0.122945  0.419092  1
  Fe  Fe39  1  0.947781  0.473495  0.356629  1
  Fe  Fe40  1  0.287812  0.051016  0.387059  1
  Fe  Fe41  1  0.628810  0.622945  0.419092  1
  Fe  Fe42  1  0.287812  0.551016  0.387059  1
  Fe  Fe43  1  0.798294  0.175377  0.418373  1
  Fe  Fe44  1  0.457078  0.106329  0.388875  1
  Fe  Fe45  1  0.798294  0.675377  0.418373  1
  Fe  Fe46  1  0.116897  0.029937  0.357162  1
  Fe  Fe47  1  0.457078  0.606329  0.388875  1
  Fe  Fe48  1  0.116897  0.529937  0.357162  1
  Fe  Fe49  1  0.065964  0.420709  0.415633  1
  Fe  Fe50  1  0.725967  0.341700  0.384473  1
  Fe  Fe51  1  0.065964  0.920709  0.415633  1
  Fe  Fe52  1  0.406244  0.497895  0.446172  1
  Fe  Fe53  1  0.725967  0.841700  0.384473  1
  Fe  Fe54  1  0.406244  0.997895  0.446172  1
  Fe  Fe55  1  0.901174  0.361359  0.413300  1
  Fe  Fe56  1  0.560471  0.289501  0.383303  1
  Fe  Fe57  1  0.901174  0.861359  0.413300  1
  Fe  Fe58  1  0.241338  0.439811  0.445135  1
  Fe  Fe59  1  0.560471  0.789501  0.383303  1
  Fe  Fe60  1  0.241338  0.939811  0.445135  1
  Fe  Fe61  1  0.020475  0.319881  0.430298  1
  Fe  Fe62  1  0.680448  0.242307  0.400158  1
  Fe  Fe63  1  0.020475  0.819881  0.430298  1
  Fe  Fe64  1  0.338894  0.174448  0.369869  1
  Fe  Fe65  1  0.680448  0.742307  0.400158  1
  Fe  Fe66  1  0.338894  0.674448  0.369869  1
  Fe  Fe67  1  0.846233  0.532762  0.415304  1
  Fe  Fe68  1  0.505197  0.463059  0.385666  1
  Fe  Fe69  1  0.846233  0.032762  0.415304  1
  Fe  Fe70  1  0.186469  0.610684  0.446791  1
  Fe  Fe71  1  0.505197  0.963059  0.385666  1
  Fe  Fe72  1  0.186469  0.110684  0.446791  1
  Fe  Fe73  1  0.969671  0.197740  0.448757  1
  Fe  Fe74  1  0.650796  0.348172  0.510253  1
  Fe  Fe75  1  0.969671  0.697740  0.448757  1
  Fe  Fe76  1  0.309809  0.275309  0.479458  1
  Fe  Fe77  1  0.650796  0.848172  0.510253  1
  Fe  Fe78  1  0.309809  0.775309  0.479458  1
  Fe  Fe79  1  0.820263  0.401459  0.510570  1
  Fe  Fe80  1  0.478890  0.329980  0.480339  1
  Fe  Fe81  1  0.820263  0.901459  0.510570  1
  Fe  Fe82  1  0.138310  0.254812  0.450043  1
  Fe  Fe83  1  0.478890  0.829980  0.480339  1
  Fe  Fe84  1  0.138310  0.754812  0.450043  1
  Fe  Fe85  1  0.087583  0.645850  0.507907  1
  Fe  Fe86  1  0.747645  0.567467  0.476652  1
  Fe  Fe87  1  0.087583  0.145850  0.507907  1
  Fe  Fe88  1  0.428102  0.720880  0.537955  1
  Fe  Fe89  1  0.747645  0.067467  0.476652  1
  Fe  Fe90  1  0.428102  0.220880  0.537955  1
  Fe  Fe91  1  0.923161  0.587053  0.505866  1
  Fe  Fe92  1  0.582206  0.513518  0.475611  1
  Fe  Fe93  1  0.923161  0.087053  0.505866  1
  Fe  Fe94  1  0.263264  0.665098  0.536789  1
  Fe  Fe95  1  0.582206  0.013518  0.475611  1
  Fe  Fe96  1  0.263264  0.165098  0.536789  1
  Fe  Fe97  1  0.042151  0.544995  0.522445  1
  Fe  Fe98  1  0.702060  0.467475  0.491314  1
  Fe  Fe99  1  0.042151  0.044995  0.522445  1
  Fe  Fe100  1  0.360559  0.396847  0.460753  1
  Fe  Fe101  1  0.702060  0.967475  0.491314  1
  Fe  Fe102  1  0.360559  0.896847  0.460753  1
  Fe  Fe103  1  0.868430  0.757173  0.507192  1
  Fe  Fe104  1  0.527159  0.684857  0.476981  1
  Fe  Fe105  1  0.868430  0.257173  0.507192  1
  Fe  Fe106  1  0.208370  0.835433  0.538360  1
  Fe  Fe107  1  0.527159  0.184857  0.476981  1
  Fe  Fe108  1  0.208370  0.335433  0.538360  1
  Fe  Fe109  1  0.991552  0.422979  0.541029  1
  Fe  Fe110  1  0.672423  0.572472  0.602326  1
  Fe  Fe111  1  0.991552  0.922979  0.541029  1
  Fe  Fe112  1  0.331605  0.499119  0.571509  1
  Fe  Fe113  1  0.672423  0.072472  0.602326  1
  Fe  Fe114  1  0.331605  0.999119  0.571509  1
  Fe  Fe115  1  0.841765  0.626532  0.602755  1
  Fe  Fe116  1  0.500654  0.554028  0.572245  1
  Fe  Fe117  1  0.841765  0.126532  0.602755  1
  Fe  Fe118  1  0.160096  0.480000  0.541704  1
  Fe  Fe119  1  0.500654  0.054028  0.572245  1
  Fe  Fe120  1  0.160096  0.980000  0.541704  1
  Fe  Fe121  1  0.109625  0.871168  0.600554  1
  Fe  Fe122  1  0.769430  0.793060  0.568226  1
  Fe  Fe123  1  0.109625  0.371168  0.600554  1
  Fe  Fe124  1  0.450121  0.943605  0.629753  1
  Fe  Fe125  1  0.769430  0.293060  0.568226  1
  Fe  Fe126  1  0.450121  0.443605  0.629753  1
  Fe  Fe127  1  0.944977  0.810708  0.598010  1
  Fe  Fe128  1  0.604515  0.737796  0.567158  1
  Fe  Fe129  1  0.944977  0.310708  0.598010  1
  Fe  Fe130  1  0.285149  0.889081  0.628318  1
  Fe  Fe131  1  0.604515  0.237796  0.567158  1
  Fe  Fe132  1  0.285149  0.389081  0.628318  1
  Fe  Fe133  1  0.064084  0.770417  0.614166  1
  Fe  Fe134  1  0.723965  0.692532  0.582327  1
  Fe  Fe135  1  0.064084  0.270417  0.614166  1
  Fe  Fe136  1  0.382530  0.620264  0.552409  1
  Fe  Fe137  1  0.723965  0.192532  0.582327  1
  Fe  Fe138  1  0.382530  0.120264  0.552409  1
  Fe  Fe139  1  0.889787  0.982094  0.599246  1
  Fe  Fe140  1  0.549116  0.908928  0.568972  1
  Fe  Fe141  1  0.889787  0.482094  0.599246  1
  Fe  Fe142  1  0.230215  0.062358  0.630991  1
  Fe  Fe143  1  0.549116  0.408928  0.568972  1
  Fe  Fe144  1  0.230215  0.562358  0.630991  1
  Fe  Fe145  1  0.012876  0.646927  0.632814  1
  Fe  Fe146  1  0.693396  0.800749  0.690124  1
  Fe  Fe147  1  0.012876  0.146927  0.632814  1
  Fe  Fe148  1  0.352340  0.720531  0.664244  1
  Fe  Fe149  1  0.693396  0.300749  0.690124  1
  Fe  Fe150  1  0.352340  0.220531  0.664244  1
  Fe  Fe151  1  0.863437  0.845378  0.694135  1
  Fe  Fe152  1  0.524457  0.777592  0.663718  1
  Fe  Fe153  1  0.863437  0.345378  0.694135  1
  Fe  Fe154  1  0.182559  0.706430  0.633764  1
  Fe  Fe155  1  0.524457  0.277592  0.663718  1
  Fe  Fe156  1  0.182559  0.206430  0.633764  1
  Fe  Fe157  1  0.131418  0.095675  0.690102  1
  Fe  Fe158  1  0.790816  0.016608  0.660815  1
  Fe  Fe159  1  0.131418  0.595675  0.690102  1
  Fe  Fe160  1  0.468445  0.183730  0.714870  1
  Fe  Fe161  1  0.790816  0.516608  0.660815  1
  Fe  Fe162  1  0.468445  0.683730  0.714870  1
  Fe  Fe163  1  0.967594  0.034943  0.690722  1
  Fe  Fe164  1  0.626424  0.964398  0.657860  1
  Fe  Fe165  1  0.967594  0.534943  0.690722  1
  Fe  Fe166  1  0.311565  0.098369  0.712176  1
  Fe  Fe167  1  0.626424  0.464398  0.657860  1
  Fe  Fe168  1  0.311565  0.598369  0.712176  1
  Fe  Fe169  1  0.086530  0.993605  0.699564  1
  Fe  Fe170  1  0.745860  0.919030  0.674135  1
  Fe  Fe171  1  0.086530  0.493605  0.699564  1
  Fe  Fe172  1  0.405208  0.843524  0.644673  1
  Fe  Fe173  1  0.745860  0.419030  0.674135  1
  Fe  Fe174  1  0.405208  0.343524  0.644673  1
  Fe  Fe175  1  0.910511  0.207243  0.691120  1
  Fe  Fe176  1  0.570888  0.132652  0.659440  1
  Fe  Fe177  1  0.910511  0.707243  0.691120  1
  Fe  Fe178  1  0.255369  0.288347  0.714652  1
  Fe  Fe179  1  0.570888  0.632652  0.659440  1
  Fe  Fe180  1  0.255369  0.788347  0.714652  1
  P  P181  1  0.914071  0.893738  0.339653  1
  P  P182  1  0.574322  0.819494  0.310319  1
  P  P183  1  0.914071  0.393738  0.339653  1
  P  P184  1  0.233655  0.745012  0.280654  1
  P  P185  1  0.574322  0.319494  0.310319  1
  P  P186  1  0.233655  0.245012  0.280654  1
  P  P187  1  0.750118  0.062235  0.354357  1
  P  P188  1  0.408016  0.996796  0.326660  1
  P  P189  1  0.750118  0.562235  0.354357  1
  P  P190  1  0.067467  0.920257  0.295685  1
  P  P191  1  0.408016  0.496796  0.326660  1
  P  P192  1  0.067467  0.420257  0.295685  1
  P  P193  1  0.080280  0.276728  0.340036  1
  P  P194  1  0.738147  0.195664  0.308686  1
  P  P195  1  0.080280  0.776728  0.340036  1
  P  P196  1  0.399188  0.127558  0.282052  1
  P  P197  1  0.738147  0.695664  0.308686  1
  P  P198  1  0.399188  0.627558  0.282052  1
  P  P199  1  0.901422  0.034131  0.295001  1
  P  P200  1  0.585474  0.183107  0.356547  1
  P  P201  1  0.901422  0.534131  0.295001  1
  P  P202  1  0.242533  0.107084  0.325477  1
  P  P203  1  0.585474  0.683107  0.356547  1
  P  P204  1  0.242533  0.607084  0.325477  1
  P  P205  1  0.916652  0.099603  0.349061  1
  P  P206  1  0.575273  0.021365  0.319389  1
  P  P207  1  0.916652  0.599603  0.349061  1
  P  P208  1  0.235055  0.944204  0.286239  1
  P  P209  1  0.575273  0.521365  0.319389  1
  P  P210  1  0.235055  0.444204  0.286239  1
  P  P211  1  0.065302  0.711786  0.280617  1
  P  P212  1  0.748227  0.860391  0.343744  1
  P  P213  1  0.065302  0.211786  0.280617  1
  P  P214  1  0.406993  0.794585  0.312732  1
  P  P215  1  0.748227  0.360391  0.343744  1
  P  P216  1  0.406993  0.294585  0.312732  1
  P  P217  1  0.790443  0.841727  0.296630  1
  P  P218  1  0.469303  0.003082  0.356353  1
  P  P219  1  0.790443  0.341727  0.296630  1
  P  P220  1  0.128087  0.919337  0.326308  1
  P  P221  1  0.469303  0.503082  0.356353  1
  P  P222  1  0.128087  0.419337  0.326308  1
  P  P223  1  0.952078  0.848804  0.284763  1
  P  P224  1  0.633970  0.995726  0.350193  1
  P  P225  1  0.952078  0.348804  0.284763  1
  P  P226  1  0.291562  0.924951  0.322655  1
  P  P227  1  0.633970  0.495726  0.350193  1
  P  P228  1  0.291562  0.424951  0.322655  1
  P  P229  1  0.865940  0.254260  0.352738  1
  P  P230  1  0.526625  0.185052  0.326732  1
  P  P231  1  0.865940  0.754260  0.352738  1
  P  P232  1  0.184980  0.104672  0.291317  1
  P  P233  1  0.526625  0.685052  0.326732  1
  P  P234  1  0.184980  0.604672  0.291317  1
  P  P235  1  0.018219  0.106739  0.299144  1
  P  P236  1  0.675149  0.032544  0.270129  1
  P  P237  1  0.018219  0.606739  0.299144  1
  P  P238  1  0.358901  0.186749  0.330450  1
  P  P239  1  0.675149  0.532544  0.270129  1
  P  P240  1  0.358901  0.686749  0.330450  1
  P  P241  1  0.842843  0.183441  0.292424  1
  P  P242  1  0.524696  0.350045  0.356533  1
  P  P243  1  0.842843  0.683441  0.292424  1
  P  P244  1  0.183577  0.267479  0.325879  1
  P  P245  1  0.524696  0.850045  0.356533  1
  P  P246  1  0.183577  0.767479  0.325879  1
  P  P247  1  0.007225  0.939139  0.269413  1
  P  P248  1  0.684436  0.093536  0.332726  1
  P  P249  1  0.007225  0.439139  0.269413  1
  P  P250  1  0.344802  0.025788  0.298168  1
  P  P251  1  0.684436  0.593536  0.332726  1
  P  P252  1  0.344802  0.525788  0.298168  1
  P  P253  1  0.809799  0.904031  0.352762  1
  P  P254  1  0.467730  0.836509  0.325114  1
  P  P255  1  0.809799  0.404031  0.352762  1
  P  P256  1  0.128368  0.758016  0.290013  1
  P  P257  1  0.467730  0.336509  0.325114  1
  P  P258  1  0.128368  0.258016  0.290013  1
  P  P259  1  0.968751  0.998956  0.319187  1
  P  P260  1  0.627014  0.920234  0.287229  1
  P  P261  1  0.968751  0.498956  0.319187  1
  P  P262  1  0.308850  0.081412  0.349499  1
  P  P263  1  0.627014  0.420234  0.287229  1
  P  P264  1  0.308850  0.581412  0.349499  1
  P  P265  1  0.800447  0.205243  0.342454  1
  P  P266  1  0.459148  0.140636  0.311263  1
  P  P267  1  0.800447  0.705243  0.342454  1
  P  P268  1  0.121602  0.059202  0.283211  1
  P  P269  1  0.459148  0.640636  0.311263  1
  P  P270  1  0.121602  0.559202  0.283211  1
  P  P271  1  0.964836  0.207262  0.332241  1
  P  P272  1  0.622434  0.129809  0.303004  1
  P  P273  1  0.964836  0.707262  0.332241  1
  P  P274  1  0.283151  0.052256  0.273597  1
  P  P275  1  0.622434  0.629809  0.303004  1
  P  P276  1  0.283151  0.552256  0.273597  1
  P  P277  1  0.853080  0.887156  0.305494  1
  P  P278  1  0.509294  0.810697  0.277919  1
  P  P279  1  0.853080  0.387156  0.305494  1
  P  P280  1  0.193257  0.968507  0.336095  1
  P  P281  1  0.509294  0.310697  0.277919  1
  P  P282  1  0.193257  0.468507  0.336095  1
  P  P283  1  0.028930  0.972313  0.346810  1
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  P  P865  1  0.044309  0.035370  0.641281  1
  P  P866  1  0.723859  0.190157  0.701646  1
  P  P867  1  0.044309  0.535370  0.641281  1
  P  P868  1  0.385593  0.113261  0.671467  1
  P  P869  1  0.723859  0.690157  0.701646  1
  P  P870  1  0.385593  0.613261  0.671467  1
  P  P871  1  0.886256  0.943062  0.674093  1
  P  P872  1  0.544720  0.870657  0.643054  1
  P  P873  1  0.886256  0.443062  0.674093  1
  P  P874  1  0.226636  0.027870  0.704549  1
  P  P875  1  0.544720  0.370657  0.643054  1
  P  P876  1  0.226636  0.527870  0.704549  1
  P  P877  1  0.101927  0.712637  0.682696  1
  P  P878  1  0.761252  0.635370  0.650495  1
  P  P879  1  0.101927  0.212637  0.682696  1
  P  P880  1  0.442635  0.805470  0.712906  1
  P  P881  1  0.761252  0.135370  0.650495  1
  P  P882  1  0.442635  0.305470  0.712906  1
  P  P883  1  0.941500  0.951013  0.709837  1
  P  P884  1  0.599973  0.877999  0.673517  1
  P  P885  1  0.941500  0.451013  0.709837  1
  P  P886  1  0.259437  0.807110  0.647981  1
  P  P887  1  0.599973  0.377999  0.673517  1
  P  P888  1  0.259437  0.307110  0.647981  1
  P  P889  1  0.992760  0.133855  0.673187  1
  P  P890  1  0.652606  0.055998  0.642731  1
  P  P891  1  0.992760  0.633855  0.673187  1
  P  P892  1  0.334708  0.208703  0.706700  1
  P  P893  1  0.652606  0.555998  0.642731  1
  P  P894  1  0.334708  0.708703  0.706700  1
  P  P895  1  0.824429  0.898673  0.666347  1
  P  P896  1  0.483710  0.825622  0.636433  1
  P  P897  1  0.824429  0.398673  0.666347  1
  P  P898  1  0.164154  0.987786  0.700237  1
  P  P899  1  0.483710  0.325622  0.636433  1
  P  P900  1  0.164154  0.487786  0.700237  1
