# generated using pymatgen
data_FeP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   25.60271019
_cell_length_b   20.79313740
_cell_length_c   47.91329050
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   123.05609423
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeP2
_chemical_formula_sum   'Fe180 P360'
_cell_volume   21378.4860978
_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  0.856144  0.621834  0.306712  1
  Fe  Fe2  1  0.735313  0.542074  0.334071  1
  Fe  Fe3  1  0.522151  0.621976  0.307896  1
  Fe  Fe4  1  0.482672  0.204997  0.280234  1
  Fe  Fe5  1  0.393469  0.534411  0.334032  1
  Fe  Fe6  1  0.358346  0.124653  0.306480  1
  Fe  Fe7  1  0.188947  0.620428  0.307706  1
  Fe  Fe8  1  0.148076  0.211422  0.282274  1
  Fe  Fe9  1  0.236752  0.038256  0.333280  1
  Fe  Fe10  1  0.060273  0.537458  0.334392  1
  Fe  Fe11  1  0.022005  0.121589  0.307866  1
  Fe  Fe12  1  0.979726  0.698922  0.280928  1
  Fe  Fe13  1  0.814524  0.209814  0.282079  1
  Fe  Fe14  1  0.893437  0.034748  0.334188  1
  Fe  Fe15  1  0.689374  0.121352  0.306808  1
  Fe  Fe16  1  0.648134  0.712551  0.282245  1
  Fe  Fe17  1  0.567473  0.040503  0.333997  1
  Fe  Fe18  1  0.313167  0.699312  0.280960  1
  Fe  Fe19  1  0.768640  0.374128  0.309622  1
  Fe  Fe20  1  0.638650  0.286245  0.335076  1
  Fe  Fe21  1  0.455053  0.383411  0.307145  1
  Fe  Fe22  1  0.405670  0.956410  0.284031  1
  Fe  Fe23  1  0.299593  0.278445  0.335684  1
  Fe  Fe24  1  0.286826  0.882183  0.306902  1
  Fe  Fe25  1  0.101891  0.372516  0.309475  1
  Fe  Fe26  1  0.071885  0.957047  0.284023  1
  Fe  Fe27  1  0.133510  0.780999  0.335781  1
  Fe  Fe28  1  0.971866  0.285273  0.335245  1
  Fe  Fe29  1  0.954647  0.883055  0.307186  1
  Fe  Fe30  1  0.015278  0.702615  0.365308  1
  Fe  Fe31  1  0.849246  0.202140  0.365142  1
  Fe  Fe32  1  0.799788  0.779296  0.335845  1
  Fe  Fe33  1  0.601309  0.874145  0.309272  1
  Fe  Fe34  1  0.574386  0.459043  0.284340  1
  Fe  Fe35  1  0.471194  0.786152  0.335077  1
  Fe  Fe36  1  0.348958  0.703000  0.364228  1
  Fe  Fe37  1  0.956071  0.852936  0.396491  1
  Fe  Fe38  1  0.831121  0.769881  0.424813  1
  Fe  Fe39  1  0.614261  0.846565  0.397283  1
  Fe  Fe40  1  0.583088  0.441714  0.368894  1
  Fe  Fe41  1  0.489650  0.764754  0.426344  1
  Fe  Fe42  1  0.455921  0.352518  0.396583  1
  Fe  Fe43  1  0.289334  0.853172  0.396428  1
  Fe  Fe44  1  0.268015  0.455007  0.362492  1
  Fe  Fe45  1  0.330989  0.270204  0.424908  1
  Fe  Fe46  1  0.164383  0.770289  0.424757  1
  Fe  Fe47  1  0.116327  0.347805  0.396927  1
  Fe  Fe48  1  0.083380  0.942457  0.368727  1
  Fe  Fe49  1  0.933901  0.455793  0.363007  1
  Fe  Fe50  1  0.995221  0.269678  0.425548  1
  Fe  Fe51  1  0.780977  0.345906  0.397195  1
  Fe  Fe52  1  0.767744  0.955015  0.362684  1
  Fe  Fe53  1  0.655386  0.264156  0.426278  1
  Fe  Fe54  1  0.415404  0.942223  0.368454  1
  Fe  Fe55  1  0.865698  0.599289  0.397788  1
  Fe  Fe56  1  0.740080  0.514630  0.426363  1
  Fe  Fe57  1  0.532568  0.599688  0.397828  1
  Fe  Fe58  1  0.515541  0.202106  0.363798  1
  Fe  Fe59  1  0.405707  0.514362  0.426058  1
  Fe  Fe60  1  0.366719  0.100756  0.398835  1
  Fe  Fe61  1  0.202832  0.601836  0.397958  1
  Fe  Fe62  1  0.181045  0.199474  0.364962  1
  Fe  Fe63  1  0.239196  0.013935  0.425719  1
  Fe  Fe64  1  0.079186  0.518274  0.424838  1
  Fe  Fe65  1  0.032265  0.099673  0.397929  1
  Fe  Fe66  1  0.113622  0.929936  0.454515  1
  Fe  Fe67  1  0.933877  0.421543  0.458159  1
  Fe  Fe68  1  0.906532  0.014942  0.426626  1
  Fe  Fe69  1  0.698316  0.098198  0.397608  1
  Fe  Fe70  1  0.680782  0.700191  0.365422  1
  Fe  Fe71  1  0.572024  0.013522  0.425650  1
  Fe  Fe72  1  0.440364  0.925427  0.457836  1
  Fe  Fe73  1  0.062015  0.089284  0.486346  1
  Fe  Fe74  1  0.915245  0.990535  0.518932  1
  Fe  Fe75  1  0.722341  0.084469  0.487317  1
  Fe  Fe76  1  0.681957  0.671799  0.458649  1
  Fe  Fe77  1  0.598042  0.001353  0.516357  1
  Fe  Fe78  1  0.556116  0.583933  0.487152  1
  Fe  Fe79  1  0.380362  0.078043  0.489514  1
  Fe  Fe80  1  0.364214  0.679959  0.455304  1
  Fe  Fe81  1  0.431036  0.501348  0.516039  1
  Fe  Fe82  1  0.255044  0.994106  0.517960  1
  Fe  Fe83  1  0.216935  0.582366  0.488821  1
  Fe  Fe84  1  0.183192  0.170875  0.457866  1
  Fe  Fe85  1  0.017886  0.671596  0.457961  1
  Fe  Fe86  1  0.095184  0.497284  0.516539  1
  Fe  Fe87  1  0.896384  0.590185  0.486092  1
  Fe  Fe88  1  0.847618  0.168640  0.458448  1
  Fe  Fe89  1  0.749519  0.491106  0.518807  1
  Fe  Fe90  1  0.531154  0.182072  0.456091  1
  Fe  Fe91  1  0.967830  0.830889  0.489653  1
  Fe  Fe92  1  0.843921  0.749376  0.516005  1
  Fe  Fe93  1  0.632462  0.830930  0.490651  1
  Fe  Fe94  1  0.614896  0.430396  0.454688  1
  Fe  Fe95  1  0.505725  0.745352  0.518023  1
  Fe  Fe96  1  0.467612  0.331606  0.489865  1
  Fe  Fe97  1  0.314240  0.840881  0.486001  1
  Fe  Fe98  1  0.273810  0.425426  0.456352  1
  Fe  Fe99  1  0.343984  0.247951  0.515874  1
  Fe  Fe100  1  0.164412  0.739142  0.519500  1
  Fe  Fe101  1  0.148078  0.341107  0.485134  1
  Fe  Fe102  1  0.197329  0.149606  0.550583  1
  Fe  Fe103  1  0.039368  0.655562  0.549090  1
  Fe  Fe104  1  0.997630  0.239864  0.519298  1
  Fe  Fe105  1  0.811856  0.338781  0.485811  1
  Fe  Fe106  1  0.779774  0.929378  0.453755  1
  Fe  Fe107  1  0.664635  0.239958  0.520091  1
  Fe  Fe108  1  0.538671  0.154823  0.548691  1
  Fe  Fe109  1  0.156609  0.317604  0.579289  1
  Fe  Fe110  1  0.031402  0.233288  0.607639  1
  Fe  Fe111  1  0.822707  0.317687  0.579275  1
  Fe  Fe112  1  0.793910  0.907390  0.547669  1
  Fe  Fe113  1  0.697775  0.233106  0.607516  1
  Fe  Fe114  1  0.648755  0.811244  0.581210  1
  Fe  Fe115  1  0.480340  0.309481  0.580628  1
  Fe  Fe116  1  0.447718  0.900159  0.550141  1
  Fe  Fe117  1  0.523798  0.728416  0.609270  1
  Fe  Fe118  1  0.355669  0.225997  0.608662  1
  Fe  Fe119  1  0.323458  0.817336  0.579601  1
  Fe  Fe120  1  0.280222  0.397827  0.549431  1
  Fe  Fe121  1  0.130155  0.909818  0.547224  1
  Fe  Fe122  1  0.197379  0.729893  0.607175  1
  Fe  Fe123  1  0.980277  0.809511  0.580403  1
  Fe  Fe124  1  0.946868  0.399936  0.550297  1
  Fe  Fe125  1  0.855792  0.725652  0.608734  1
  Fe  Fe126  1  0.628852  0.409281  0.547900  1
  Fe  Fe127  1  0.071869  0.065634  0.578749  1
  Fe  Fe128  1  0.945862  0.979951  0.606793  1
  Fe  Fe129  1  0.739190  0.065878  0.578804  1
  Fe  Fe130  1  0.698387  0.650278  0.550602  1
  Fe  Fe131  1  0.611656  0.979927  0.605891  1
  Fe  Fe132  1  0.572710  0.565867  0.579376  1
  Fe  Fe133  1  0.412945  0.070182  0.577054  1
  Fe  Fe134  1  0.372076  0.654789  0.547758  1
  Fe  Fe135  1  0.445167  0.479210  0.605640  1
  Fe  Fe136  1  0.263224  0.969827  0.611121  1
  Fe  Fe137  1  0.247975  0.571646  0.577508  1
  Fe  Fe138  1  0.298219  0.379836  0.643485  1
  Fe  Fe139  1  0.138599  0.885169  0.640249  1
  Fe  Fe140  1  0.095584  0.468674  0.610177  1
  Fe  Fe141  1  0.912407  0.570244  0.576512  1
  Fe  Fe142  1  0.872913  0.155589  0.549372  1
  Fe  Fe143  1  0.763038  0.470468  0.611536  1
  Fe  Fe144  1  0.638117  0.385711  0.640785  1
  Fe  Fe145  1  0.245709  0.539948  0.670500  1
  Fe  Fe146  1  0.129065  0.465818  0.695869  1
  Fe  Fe147  1  0.920195  0.546628  0.670236  1
  Fe  Fe148  1  0.879257  0.126918  0.641806  1
  Fe  Fe149  1  0.795349  0.464166  0.695505  1
  Fe  Fe150  1  0.753091  0.044315  0.669924  1
  Fe  Fe151  1  0.576226  0.540545  0.670866  1
  Fe  Fe152  1  0.544911  0.127462  0.641727  1
  Fe  Fe153  1  0.628217  0.964412  0.695448  1
  Fe  Fe154  1  0.459495  0.460263  0.695993  1
  Fe  Fe155  1  0.419929  0.046484  0.670239  1
  Fe  Fe156  1  0.396909  0.638157  0.636471  1
  Fe  Fe157  1  0.229254  0.139752  0.636615  1
  Fe  Fe158  1  0.295087  0.964012  0.695385  1
  Fe  Fe159  1  0.077703  0.038083  0.670349  1
  Fe  Fe160  1  0.045091  0.629475  0.642157  1
  Fe  Fe161  1  0.961407  0.962077  0.696232  1
  Fe  Fe162  1  0.729322  0.639188  0.636833  1
  Fe  Fe163  1  0.172360  0.295128  0.670996  1
  Fe  Fe164  1  0.040101  0.204594  0.695412  1
  Fe  Fe165  1  0.840728  0.297584  0.670732  1
  Fe  Fe166  1  0.799329  0.880068  0.642616  1
  Fe  Fe167  1  0.707171  0.207307  0.695192  1
  Fe  Fe168  1  0.677725  0.799871  0.670401  1
  Fe  Fe169  1  0.513144  0.303414  0.669648  1
  Fe  Fe170  1  0.465618  0.880924  0.643901  1
  Fe  Fe171  1  0.526726  0.698647  0.699020  1
  Fe  Fe172  1  0.358732  0.198448  0.698728  1
  Fe  Fe173  1  0.340089  0.795670  0.670942  1
  Fe  Fe174  1  0.406435  0.622388  0.721063  1
  Fe  Fe175  1  0.239068  0.122680  0.720982  1
  Fe  Fe176  1  0.207567  0.706171  0.695266  1
  Fe  Fe177  1  0.013351  0.802701  0.669593  1
  Fe  Fe178  1  0.971852  0.385806  0.641416  1
  Fe  Fe179  1  0.858739  0.697840  0.698869  1
  Fe  Fe180  1  0.740314  0.621844  0.721373  1
  P  P181  1  0.839139  0.334323  0.289450  1
  P  P182  1  0.708646  0.245118  0.321817  1
  P  P183  1  0.509103  0.330762  0.284950  1
  P  P184  1  0.579168  0.156355  0.351785  1
  P  P185  1  0.378642  0.248943  0.320355  1
  P  P186  1  0.340137  0.827659  0.284820  1
  P  P187  1  0.171411  0.333060  0.289159  1
  P  P188  1  0.245730  0.153433  0.351995  1
  P  P189  1  0.211465  0.748084  0.320852  1
  P  P190  1  0.041537  0.244619  0.322385  1
  P  P191  1  0.007170  0.827940  0.284862  1
  P  P192  1  0.078468  0.655476  0.351270  1
  P  P193  1  0.911152  0.155220  0.351372  1
  P  P194  1  0.878085  0.748678  0.320403  1
  P  P195  1  0.671091  0.834093  0.289230  1
  P  P196  1  0.746079  0.655629  0.352518  1
  P  P197  1  0.541211  0.744993  0.322382  1
  P  P198  1  0.410961  0.655076  0.350769  1
  P  P199  1  0.838467  0.500028  0.287719  1
  P  P200  1  0.701613  0.415250  0.316107  1
  P  P201  1  0.511573  0.506726  0.285507  1
  P  P202  1  0.568391  0.327822  0.346292  1
  P  P203  1  0.373608  0.411328  0.316207  1
  P  P204  1  0.343907  0.005644  0.285064  1
  P  P205  1  0.172497  0.499499  0.287951  1
  P  P206  1  0.237939  0.326705  0.347816  1
  P  P207  1  0.206421  0.911885  0.315466  1
  P  P208  1  0.036703  0.414387  0.316594  1
  P  P209  1  0.010613  0.006232  0.285390  1
  P  P210  1  0.068801  0.828028  0.346172  1
  P  P211  1  0.904545  0.327651  0.348163  1
  P  P212  1  0.873587  0.911813  0.316328  1
  P  P213  1  0.673786  0.001837  0.287776  1
  P  P214  1  0.738028  0.827115  0.348035  1
  P  P215  1  0.534705  0.914464  0.315707  1
  P  P216  1  0.401114  0.827794  0.345984  1
  P  P217  1  0.824605  0.410602  0.351209  1
  P  P218  1  0.594345  0.089587  0.286813  1
  P  P219  1  0.489409  0.412080  0.351384  1
  P  P220  1  0.461587  0.005143  0.322220  1
  P  P221  1  0.262450  0.090943  0.286997  1
  P  P222  1  0.321761  0.912124  0.351094  1
  P  P223  1  0.158890  0.411392  0.351052  1
  P  P224  1  0.130111  0.002945  0.321846  1
  P  P225  1  0.098162  0.591448  0.287446  1
  P  P226  1  0.930337  0.091683  0.287676  1
  P  P227  1  0.989670  0.912427  0.351265  1
  P  P228  1  0.959434  0.503397  0.316859  1
  P  P229  1  0.792716  0.999631  0.316895  1
  P  P230  1  0.761633  0.591973  0.287179  1
  P  P231  1  0.657898  0.910247  0.351026  1
  P  P232  1  0.629347  0.506079  0.322764  1
  P  P233  1  0.430755  0.589985  0.287243  1
  P  P234  1  0.293139  0.499903  0.316339  1
  P  P235  1  0.824720  0.565205  0.351828  1
  P  P236  1  0.591149  0.246903  0.288771  1
  P  P237  1  0.490494  0.565217  0.351357  1
  P  P238  1  0.457714  0.155248  0.322153  1
  P  P239  1  0.254757  0.245980  0.289235  1
  P  P240  1  0.327326  0.067029  0.351436  1
  P  P241  1  0.157078  0.565592  0.351545  1
  P  P242  1  0.122430  0.152279  0.322789  1
  P  P243  1  0.088695  0.744049  0.289136  1
  P  P244  1  0.922545  0.247593  0.289317  1
  P  P245  1  0.990367  0.065535  0.351521  1
  P  P246  1  0.955889  0.654536  0.323485  1
  P  P247  1  0.790230  0.154493  0.323197  1
  P  P248  1  0.754612  0.746941  0.289402  1
  P  P249  1  0.657337  0.064137  0.351650  1
  P  P250  1  0.622637  0.654764  0.323003  1
  P  P251  1  0.422755  0.744809  0.288844  1
  P  P252  1  0.289420  0.652879  0.323241  1
  P  P253  1  0.944832  0.568086  0.382863  1
  P  P254  1  0.808737  0.472910  0.413276  1
  P  P255  1  0.610046  0.567901  0.383794  1
  P  P256  1  0.677591  0.386035  0.443603  1
  P  P257  1  0.475646  0.474048  0.414234  1
  P  P258  1  0.444386  0.068905  0.383815  1
  P  P259  1  0.278653  0.567845  0.382561  1
  P  P260  1  0.342164  0.385400  0.442691  1
  P  P261  1  0.308837  0.974823  0.413838  1
  P  P262  1  0.143991  0.473866  0.413222  1
  P  P263  1  0.109826  0.067399  0.383416  1
  P  P264  1  0.177374  0.885027  0.443258  1
  P  P265  1  0.008883  0.387764  0.443188  1
  P  P266  1  0.976008  0.974496  0.414373  1
  P  P267  1  0.777491  0.067345  0.382569  1
  P  P268  1  0.842749  0.884904  0.442837  1
  P  P269  1  0.641914  0.972485  0.413500  1
  P  P270  1  0.509098  0.886261  0.443393  1
  P  P271  1  0.936929  0.731948  0.379119  1
  P  P272  1  0.803366  0.644978  0.410241  1
  P  P273  1  0.603690  0.731811  0.379661  1
  P  P274  1  0.671897  0.556966  0.440272  1
  P  P275  1  0.468372  0.644043  0.408725  1
  P  P276  1  0.437066  0.231522  0.379247  1
  P  P277  1  0.270460  0.732052  0.379228  1
  P  P278  1  0.337644  0.554621  0.440016  1
  P  P279  1  0.303699  0.144924  0.410095  1
  P  P280  1  0.137168  0.646278  0.409429  1
  P  P281  1  0.104014  0.231569  0.379314  1
  P  P282  1  0.171321  0.055932  0.439630  1
  P  P283  1  0.004070  0.552431  0.440312  1
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  P  P540  1  0.682977  0.576358  0.683305  1
