# generated using pymatgen
data_FeP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   18.19937648
_cell_length_b   18.91096480
_cell_length_c   48.71058041
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   83.22677545
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeP2
_chemical_formula_sum   'Fe144 P288'
_cell_volume   16647.6070226
_cell_formula_units_Z   144
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  0.033085  0.396683  0.320912  1
  Fe  Fe2  1  0.410296  0.123928  0.268066  1
  Fe  Fe3  1  0.391283  0.413487  0.305804  1
  Fe  Fe4  1  0.745802  0.433624  0.286194  1
  Fe  Fe5  1  0.079070  0.100910  0.286416  1
  Fe  Fe6  1  0.412140  0.766579  0.286313  1
  Fe  Fe7  1  0.743780  0.790418  0.267857  1
  Fe  Fe8  1  0.725086  0.080620  0.305774  1
  Fe  Fe9  1  0.058240  0.747780  0.305791  1
  Fe  Fe10  1  0.246111  0.608218  0.277123  1
  Fe  Fe11  1  0.579926  0.275966  0.277418  1
  Fe  Fe12  1  0.543361  0.568732  0.311273  1
  Fe  Fe13  1  0.899002  0.578910  0.293069  1
  Fe  Fe14  1  0.231550  0.244721  0.293852  1
  Fe  Fe15  1  0.564890  0.910854  0.293462  1
  Fe  Fe16  1  0.913583  0.943195  0.277368  1
  Fe  Fe17  1  0.876726  0.235386  0.311435  1
  Fe  Fe18  1  0.209736  0.902668  0.311282  1
  Fe  Fe19  1  0.981989  0.348614  0.374960  1
  Fe  Fe20  1  0.366917  0.065699  0.319421  1
  Fe  Fe21  1  0.334033  0.364869  0.355315  1
  Fe  Fe22  1  0.686859  0.382166  0.335357  1
  Fe  Fe23  1  0.019668  0.049066  0.335574  1
  Fe  Fe24  1  0.352431  0.714630  0.335678  1
  Fe  Fe25  1  0.700379  0.732272  0.319226  1
  Fe  Fe26  1  0.667351  0.031822  0.355171  1
  Fe  Fe27  1  1.000833  0.698553  0.355173  1
  Fe  Fe28  1  0.196317  0.557521  0.326284  1
  Fe  Fe29  1  0.531998  0.229168  0.327198  1
  Fe  Fe30  1  0.493042  0.526078  0.365845  1
  Fe  Fe31  1  0.845254  0.543739  0.346143  1
  Fe  Fe32  1  0.177124  0.209497  0.347328  1
  Fe  Fe33  1  0.510319  0.876818  0.346794  1
  Fe  Fe34  1  0.865460  0.895768  0.327112  1
  Fe  Fe35  1  0.826143  0.192594  0.365980  1
  Fe  Fe36  1  0.159662  0.859807  0.365768  1
  Fe  Fe37  1  0.917486  0.290274  0.441055  1
  Fe  Fe38  1  0.315666  0.014844  0.374471  1
  Fe  Fe39  1  0.271750  0.307214  0.420764  1
  Fe  Fe40  1  0.625168  0.326064  0.400490  1
  Fe  Fe41  1  0.958520  0.992584  0.400481  1
  Fe  Fe42  1  0.291677  0.659110  0.400111  1
  Fe  Fe43  1  0.649103  0.681485  0.374324  1
  Fe  Fe44  1  0.604943  0.973991  0.420464  1
  Fe  Fe45  1  0.938248  0.640641  0.420391  1
  Fe  Fe46  1  0.134948  0.500736  0.390449  1
  Fe  Fe47  1  0.468390  0.166784  0.390149  1
  Fe  Fe48  1  0.427730  0.463418  0.429555  1
  Fe  Fe49  1  0.780229  0.482575  0.409604  1
  Fe  Fe50  1  0.113893  0.149284  0.409672  1
  Fe  Fe51  1  0.446926  0.815880  0.409543  1
  Fe  Fe52  1  0.801607  0.833597  0.390047  1
  Fe  Fe53  1  0.761296  0.130166  0.429571  1
  Fe  Fe54  1  0.094681  0.796627  0.429492  1
  Fe  Fe55  1  0.864495  0.240582  0.496201  1
  Fe  Fe56  1  0.250720  0.956851  0.440948  1
  Fe  Fe57  1  0.219288  0.259800  0.473815  1
  Fe  Fe58  1  0.572316  0.277901  0.453510  1
  Fe  Fe59  1  0.905595  0.944444  0.453435  1
  Fe  Fe60  1  0.239012  0.611308  0.453370  1
  Fe  Fe61  1  0.583877  0.623540  0.440930  1
  Fe  Fe62  1  0.552626  0.926517  0.473685  1
  Fe  Fe63  1  0.885845  0.593274  0.473610  1
  Fe  Fe64  1  0.081923  0.453308  0.444087  1
  Fe  Fe65  1  0.415239  0.119823  0.444017  1
  Fe  Fe66  1  0.375938  0.417786  0.483626  1
  Fe  Fe67  1  0.730137  0.438063  0.464109  1
  Fe  Fe68  1  0.063364  0.104741  0.464193  1
  Fe  Fe69  1  0.396692  0.771348  0.464118  1
  Fe  Fe70  1  0.748439  0.786582  0.443862  1
  Fe  Fe71  1  0.709195  0.084572  0.483596  1
  Fe  Fe72  1  0.042530  0.751135  0.483530  1
  Fe  Fe73  1  0.811693  0.190761  0.551312  1
  Fe  Fe74  1  0.197803  0.907084  0.496084  1
  Fe  Fe75  1  0.156651  0.202990  0.538880  1
  Fe  Fe76  1  0.509717  0.221018  0.518592  1
  Fe  Fe77  1  0.842937  0.887827  0.518383  1
  Fe  Fe78  1  0.176387  0.554401  0.518470  1
  Fe  Fe79  1  0.531145  0.573745  0.496079  1
  Fe  Fe80  1  0.490026  0.869741  0.538736  1
  Fe  Fe81  1  0.823275  0.536205  0.538795  1
  Fe  Fe82  1  0.019679  0.396506  0.508686  1
  Fe  Fe83  1  0.353090  0.063052  0.508703  1
  Fe  Fe84  1  0.313750  0.360976  0.548214  1
  Fe  Fe85  1  0.665543  0.376286  0.528151  1
  Fe  Fe86  1  0.998971  0.042943  0.528077  1
  Fe  Fe87  1  0.332222  0.709576  0.528062  1
  Fe  Fe88  1  0.686346  0.729741  0.508602  1
  Fe  Fe89  1  0.647092  0.027803  0.548286  1
  Fe  Fe90  1  0.980268  0.694400  0.548062  1
  Fe  Fe91  1  0.746453  0.132900  0.617850  1
  Fe  Fe92  1  0.144737  0.857358  0.551194  1
  Fe  Fe93  1  0.103980  0.155097  0.592103  1
  Fe  Fe94  1  0.457397  0.173608  0.571855  1
  Fe  Fe95  1  0.790553  0.840367  0.571476  1
  Fe  Fe96  1  0.123917  0.507046  0.571568  1
  Fe  Fe97  1  0.478278  0.523993  0.551200  1
  Fe  Fe98  1  0.437161  0.821491  0.591722  1
  Fe  Fe99  1  0.770674  0.488323  0.592073  1
  Fe  Fe100  1  0.967862  0.350828  0.562778  1
  Fe  Fe101  1  0.300968  0.017419  0.562751  1
  Fe  Fe102  1  0.260886  0.313334  0.601808  1
  Fe  Fe103  1  0.615468  0.331751  0.582676  1
  Fe  Fe104  1  0.948453  0.998347  0.582620  1
  Fe  Fe105  1  0.281896  0.665065  0.582501  1
  Fe  Fe106  1  0.634583  0.683964  0.562684  1
  Fe  Fe107  1  0.594103  0.980644  0.602121  1
  Fe  Fe108  1  0.927414  0.646806  0.601723  1
  Fe  Fe109  1  0.695473  0.081637  0.672918  1
  Fe  Fe110  1  0.080256  0.799040  0.617207  1
  Fe  Fe111  1  0.043408  0.099059  0.656511  1
  Fe  Fe112  1  0.395031  0.115486  0.637044  1
  Fe  Fe113  1  0.728498  0.782494  0.636893  1
  Fe  Fe114  1  0.061749  0.449078  0.636957  1
  Fe  Fe115  1  0.413449  0.465806  0.617368  1
  Fe  Fe116  1  0.375655  0.764846  0.656825  1
  Fe  Fe117  1  0.709556  0.432581  0.656727  1
  Fe  Fe118  1  0.902805  0.287917  0.626440  1
  Fe  Fe119  1  0.236358  0.954707  0.626295  1
  Fe  Fe120  1  0.199508  0.256218  0.666000  1
  Fe  Fe121  1  0.550626  0.270480  0.646114  1
  Fe  Fe122  1  0.885415  0.938057  0.644907  1
  Fe  Fe123  1  0.217072  0.604393  0.645639  1
  Fe  Fe124  1  0.569649  0.621759  0.626217  1
  Fe  Fe125  1  0.530471  0.918079  0.665079  1
  Fe  Fe126  1  0.866270  0.589616  0.665889  1
  Fe  Fe127  1  0.652569  0.023105  0.724292  1
  Fe  Fe128  1  0.029368  0.750547  0.671222  1
  Fe  Fe129  1  0.983897  0.046693  0.705816  1
  Fe  Fe130  1  0.337622  0.065945  0.686476  1
  Fe  Fe131  1  0.671253  0.733610  0.686462  1
  Fe  Fe132  1  0.004800  0.399814  0.686480  1
  Fe  Fe133  1  0.362600  0.417266  0.671427  1
  Fe  Fe134  1  0.316908  0.712997  0.705931  1
  Fe  Fe135  1  0.650491  0.380671  0.706038  1
  Fe  Fe136  1  0.852678  0.244877  0.680959  1
  Fe  Fe137  1  0.185945  0.911554  0.680784  1
  Fe  Fe138  1  0.149724  0.205068  0.715099  1
  Fe  Fe139  1  0.496977  0.235174  0.699161  1
  Fe  Fe140  1  0.831116  0.902679  0.698368  1
  Fe  Fe141  1  0.163706  0.567933  0.698789  1
  Fe  Fe142  1  0.519031  0.578842  0.680790  1
  Fe  Fe143  1  0.482566  0.870658  0.714798  1
  Fe  Fe144  1  0.816630  0.538914  0.715031  1
  P  P145  1  0.310342  0.521351  0.300820  1
  P  P146  1  0.643398  0.187858  0.300670  1
  P  P147  1  0.656992  0.540928  0.282579  1
  P  P148  1  0.003218  0.559564  0.263116  1
  P  P149  1  0.338167  0.227295  0.262121  1
  P  P150  1  0.671567  0.893385  0.261674  1
  P  P151  1  0.976990  0.855280  0.300662  1
  P  P152  1  0.990900  0.209002  0.282823  1
  P  P153  1  0.323761  0.873992  0.282707  1
  P  P154  1  0.133590  0.641048  0.293336  1
  P  P155  1  0.466683  0.306842  0.293306  1
  P  P156  1  0.490064  0.654418  0.275326  1
  P  P157  1  0.785339  0.623647  0.312810  1
  P  P158  1  0.118602  0.289494  0.313766  1
  P  P159  1  0.451622  0.956743  0.313052  1
  P  P160  1  0.800290  0.973731  0.293122  1
  P  P161  1  0.825735  0.322152  0.275441  1
  P  P162  1  0.156852  0.988412  0.275346  1
  P  P163  1  0.308928  0.700717  0.289523  1
  P  P164  1  0.643336  0.367704  0.289288  1
  P  P165  1  0.658526  0.716433  0.271458  1
  P  P166  1  0.954489  0.683583  0.309612  1
  P  P167  1  0.286516  0.350108  0.309844  1
  P  P168  1  0.621525  0.015358  0.309515  1
  P  P169  1  0.975997  0.035523  0.289481  1
  P  P170  1  0.995387  0.386477  0.273760  1
  P  P171  1  0.325136  0.049931  0.271650  1
  P  P172  1  0.135557  0.463904  0.303787  1
  P  P173  1  0.473434  0.130677  0.306380  1
  P  P174  1  0.489487  0.477566  0.286119  1
  P  P175  1  0.838921  0.497519  0.266110  1
  P  P176  1  0.173427  0.164416  0.266681  1
  P  P177  1  0.506490  0.830451  0.266461  1
  P  P178  1  0.806528  0.797911  0.306199  1
  P  P179  1  0.822709  0.145161  0.286003  1
  P  P180  1  0.155937  0.811875  0.285881  1
  P  P181  1  0.249187  0.474234  0.361361  1
  P  P182  1  0.583728  0.141654  0.361729  1
  P  P183  1  0.605604  0.489421  0.342890  1
  P  P184  1  0.959043  0.507099  0.324184  1
  P  P185  1  0.291182  0.174370  0.325058  1
  P  P186  1  0.624367  0.840808  0.324825  1
  P  P187  1  0.917050  0.808503  0.361716  1
  P  P188  1  0.938849  0.156382  0.343007  1
  P  P189  1  0.271899  0.822393  0.342859  1
  P  P190  1  0.084087  0.585862  0.353857  1
  P  P191  1  0.417558  0.252809  0.354032  1
  P  P192  1  0.429858  0.603262  0.334236  1
  P  P193  1  0.731050  0.569469  0.373060  1
  P  P194  1  0.063571  0.236038  0.373651  1
  P  P195  1  0.396942  0.902632  0.373245  1
  P  P196  1  0.750870  0.919580  0.353925  1
  P  P197  1  0.762589  0.270019  0.334121  1
  P  P198  1  0.095851  0.936878  0.334179  1
  P  P199  1  0.252753  0.649085  0.351393  1
  P  P200  1  0.586792  0.317584  0.351652  1
  P  P201  1  0.601947  0.665788  0.330551  1
  P  P202  1  0.900832  0.633570  0.370680  1
  P  P203  1  0.234085  0.299765  0.371243  1
  P  P204  1  0.567170  0.967011  0.370837  1
  P  P205  1  0.920005  0.984286  0.351690  1
  P  P206  1  0.934429  0.332108  0.331207  1
  P  P207  1  0.268559  0.999129  0.330668  1
  P  P208  1  0.084291  0.410346  0.364854  1
  P  P209  1  0.416693  0.076547  0.364943  1
  P  P210  1  0.437545  0.427123  0.347220  1
  P  P211  1  0.790189  0.444746  0.327897  1
  P  P212  1  0.123292  0.110684  0.328242  1
  P  P213  1  0.456192  0.777364  0.328071  1
  P  P214  1  0.750154  0.743287  0.364756  1
  P  P215  1  0.771125  0.093860  0.347204  1
  P  P216  1  0.104625  0.760510  0.347197  1
  P  P217  1  0.194657  0.418966  0.421295  1
  P  P218  1  0.527853  0.085599  0.421219  1
  P  P219  1  0.543049  0.438779  0.402004  1
  P  P220  1  0.895846  0.456446  0.382272  1
  P  P221  1  0.229411  0.122224  0.382647  1
  P  P222  1  0.562427  0.789092  0.382364  1
  P  P223  1  0.861081  0.752236  0.421094  1
  P  P224  1  0.876577  0.105469  0.402055  1
  P  P225  1  0.209919  0.771908  0.401844  1
  P  P226  1  0.021013  0.534716  0.412549  1
  P  P227  1  0.354570  0.201324  0.412665  1
  P  P228  1  0.377339  0.550031  0.393709  1
  P  P229  1  0.667889  0.518239  0.432454  1
  P  P230  1  0.001198  0.184886  0.432686  1
  P  P231  1  0.334488  0.851412  0.432528  1
  P  P232  1  0.687642  0.868086  0.412468  1
  P  P233  1  0.711063  0.217107  0.393886  1
  P  P234  1  0.044505  0.883695  0.393835  1
  P  P235  1  0.190459  0.596951  0.409537  1
  P  P236  1  0.523806  0.263713  0.409598  1
  P  P237  1  0.546766  0.615997  0.390854  1
  P  P238  1  0.837226  0.579485  0.429201  1
  P  P239  1  0.170629  0.246011  0.429491  1
  P  P240  1  0.503935  0.912675  0.429242  1
  P  P241  1  0.857064  0.930408  0.409551  1
  P  P242  1  0.879781  0.282740  0.391099  1
  P  P243  1  0.213358  0.949313  0.390903  1
  P  P244  1  0.020787  0.357611  0.423705  1
  P  P245  1  0.354093  0.023876  0.423726  1
  P  P246  1  0.372907  0.374063  0.404348  1
  P  P247  1  0.726371  0.391412  0.384871  1
  P  P248  1  0.059648  0.058061  0.385058  1
  P  P249  1  0.392786  0.724450  0.384936  1
  P  P250  1  0.687236  0.690684  0.423559  1
  P  P251  1  0.706362  0.040804  0.404293  1
  P  P252  1  0.039708  0.707303  0.404239  1
  P  P253  1  0.133623  0.369153  0.480224  1
  P  P254  1  0.467002  0.035733  0.480164  1
  P  P255  1  0.490003  0.384103  0.461403  1
  P  P256  1  0.842507  0.402193  0.441642  1
  P  P257  1  0.175734  0.068679  0.441784  1
  P  P258  1  0.508954  0.735391  0.441652  1
  P  P259  1  0.800180  0.702472  0.480045  1
  P  P260  1  0.823315  0.050786  0.461386  1
  P  P261  1  0.156704  0.717445  0.461283  1
  P  P262  1  0.968253  0.480984  0.472173  1
  P  P263  1  0.301686  0.147462  0.472239  1
  P  P264  1  0.315086  0.499773  0.452474  1
  P  P265  1  0.615791  0.463353  0.492011  1
  P  P266  1  0.949042  0.130095  0.492063  1
  P  P267  1  0.282374  0.796661  0.491998  1
  P  P268  1  0.634909  0.814232  0.472091  1
  P  P269  1  0.648412  0.166395  0.452480  1
  P  P270  1  0.981702  0.832944  0.452370  1
  P  P271  1  0.137132  0.544596  0.469638  1
  P  P272  1  0.470500  0.211123  0.469664  1
  P  P273  1  0.485760  0.560334  0.449794  1
  P  P274  1  0.785079  0.527755  0.489319  1
  P  P275  1  0.118403  0.194412  0.489443  1
  P  P276  1  0.451761  0.861105  0.489319  1
  P  P277  1  0.803681  0.877850  0.469532  1
  P  P278  1  0.819164  0.227081  0.449933  1
  P  P279  1  0.152551  0.893613  0.449795  1
  P  P280  1  0.967175  0.304945  0.484079  1
  P  P281  1  0.300538  0.971467  0.484041  1
  P  P282  1  0.320192  0.321924  0.464452  1
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